Cas no 660818-75-7 (1H-Purine-8-carboxamide,2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-N,1-bis(phenylmethyl)-)
660818-75-7 structure
Product Name:1H-Purine-8-carboxamide,2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-N,1-bis(phenylmethyl)-
CAS No:660818-75-7
MF:C21H19N5O3
MW:389.407263994217
CID:1700808
Update Time:2024-08-31
1H-Purine-8-carboxamide,2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-N,1-bis(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Purine-8-carboxamide,2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-N,1-bis(phenylmethyl)-
- 1H-Purine-8-carboxamide, 2,3,6,9-tetrahydro-3-methyl-2,6-dioxo-N,1-bis(phenylmethyl)-
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- Inchi： 1S/C21H19N5O3/c1-25-18-16(20(28)26(21(25)29)13-15-10-6-3-7-11-15)23-17(24-18)19(27)22-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,22,27)(H,23,24)
- InChI Key： YDTYGLXCUIEUIC-UHFFFAOYSA-N
- SMILES： N1C2=C(N(C)C(=O)N(CC3=CC=CC=C3)C2=O)NC=1C(NCC1=CC=CC=C1)=O
Computed Properties
- Exact Mass: 389.14897
Experimental Properties
- Density: 1.379±0.06 g/cm3(Predicted)
- PSA: 98.4
- pka: 6.33±0.70(Predicted)
1H-Purine-8-carboxamide,2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-N,1-bis(phenylmethyl)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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