Cas no 15199-06-1 (4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-benzoyl-3,5,6,7-tetrahydro-)
![4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-benzoyl-3,5,6,7-tetrahydro- structure](https://ossimg.kuujia.com/scimg/15500/15199-06-1x500.png)
15199-06-1 structure
Product Name:4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-benzoyl-3,5,6,7-tetrahydro-
CAS No:15199-06-1
MF:C13H11N3O2
MW:241.245342493057
CID:174526
PubChem ID:135449836
Update Time:2025-04-19
4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-benzoyl-3,5,6,7-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-benzoyl-3,5,6,7-tetrahydro-
- 6-benzoyl-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-4-one
- 6-benzoyl-1,5,6,7-tetrahydro-4h-pyrrolo[3,4-d]pyrimidin-4-one
- 6-benzoyl-3,5,6,7-tetrahydro-pyrrolo[3,4-d]pyrimidin-4-one
- 6-Benzoyl-4-hydroxy-6,7-dihydro-5H-pyrrolo< 3,4-d> pyrimidin
- AC1L6RIL
- AC1Q5KIO
- AG-J-36099
- AR-1H0995
- CTK4C7278
- NSC116522
- DTXSID40297538
- 6-Benzoyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
- 15199-06-1
- NSC-116522
- 6-benzoyl-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-one
-
- Inchi： 1S/C13H11N3O2/c17-12-10-6-16(7-11(10)14-8-15-12)13(18)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15,17)
- InChI Key： KEHBUYXVILPJAE-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)N1CC2=C(C(NC=N2)=O)C1
Computed Properties
- Exact Mass: 241.08523
- Monoisotopic Mass: 241.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 447
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.77
4H-Pyrrolo[3,4-d]pyrimidin-4-one,6-benzoyl-3,5,6,7-tetrahydro- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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