Cas no 89665-73-6 (5-(2-Methylpiperidino)methyl-2-thiouracil)
89665-73-6 structure
Product Name:5-(2-Methylpiperidino)methyl-2-thiouracil
CAS No:89665-73-6
MF:C11H17N3OS
MW:239.33718085289
CID:2683610
Update Time:2023-08-07
5-(2-Methylpiperidino)methyl-2-thiouracil Chemical and Physical Properties
Names and Identifiers
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- 5-[(2-methylpiperidin-1-yl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
- 5-(2-Methylpiperidino)methyl-2-thiouracil
- 4(1H)-Pyrimidinone, 2,3-dihydro-5-((2-methyl-1-piperidinyl)methyl)-2-thioxo-
- 5-(2-METHYLPIPERIDIN-1-YL)METHYL-2-THIOURACIL
- 5-[(2-Methylpiperidin-1-yl)methyl]-2-sulfanylpyrimidin-4-ol
- 5-((2-Methylpiperidin-1-yl)methyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
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- Inchi： 1S/C11H17N3OS/c1-8-4-2-3-5-14(8)7-9-6-12-11(16)13-10(9)15/h6,8H,2-5,7H2,1H3,(H2,12,13,15,16)
- InChI Key： IKKGKUCPRBEPBO-UHFFFAOYSA-N
- SMILES： S=C1NC=C(C(N1)=O)CN1CCCCC1C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 340
- Topological Polar Surface Area: 76.5
5-(2-Methylpiperidino)methyl-2-thiouracil Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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