Cas no 57076-73-0 (1H-Purine-2,6-dione, 1,3-dibutyl-3,7-dihydro-7-(4-oxopentyl)-)
57076-73-0 structure
Product Name:1H-Purine-2,6-dione, 1,3-dibutyl-3,7-dihydro-7-(4-oxopentyl)-
CAS No:57076-73-0
MF:C18H28N4O3
MW:348.439924240112
CID:346546
PubChem ID:20299647
Update Time:2025-04-19
1H-Purine-2,6-dione, 1,3-dibutyl-3,7-dihydro-7-(4-oxopentyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione, 1,3-dibutyl-3,7-dihydro-7-(4-oxopentyl)-
- 1,3-dibutyl-7-(4-oxopentyl)purine-2,6-dione
- SCHEMBL11456819
- DTXSID30604813
- 57076-73-0
- 1,3-Dibutyl-7-(4-oxopentyl)-3,7-dihydro-1H-purine-2,6-dione
-
- Inchi： 1S/C18H28N4O3/c1-4-6-11-21-16-15(17(24)22(18(21)25)12-7-5-2)20(13-19-16)10-8-9-14(3)23/h13H,4-12H2,1-3H3
- InChI Key： UDIGDODUJVQRPE-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN2CCCC(C)=O)N(C(N1CCCC)=O)CCCC
Computed Properties
- Exact Mass: 348.21634
- Monoisotopic Mass: 348.21614077g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 10
- Complexity: 497
- 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: 2
- Topological Polar Surface Area: 75.5?2
Experimental Properties
- PSA: 75.51
1H-Purine-2,6-dione, 1,3-dibutyl-3,7-dihydro-7-(4-oxopentyl)- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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