AFQ
概要
| 表記: | 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| 組成式: | C18 H25 N7 O |
| 電荷: | 0 |
| 化学式量: | 355.437 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| OpenEye OEToolkits | 1.5.0 | 6-amino-4-[2-(cyclopentylmethylamino)ethyl]-2-methylamino-1,7-dihydropyrimido[6,5-f]benzimidazol-8-one |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C1c3c(N=C(N1)N)c(c2nc(NC)nc2c3)CCNCC4CCCC4 |
| SMILES_CANONICAL | CACTVS | 3.341 | CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNCC4CCCC4)c2n1)N |
| SMILES | CACTVS | 3.341 | CNc1[nH]c2cc3C(=O)NC(=Nc3c(CCNCC4CCCC4)c2n1)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCC4)N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCCC4)N=C(NC3=O)N |
| InChI | InChI | 1.03 | InChI=1S/C18H25N7O/c1-20-18-22-13-8-12-14(23-17(19)25-16(12)26)11(15(13)24-18)6-7-21-9-10-4-2-3-5-10/h8,10,21H,2-7,9H2,1H3,(H2,20,22,24)(H3,19,23,25,26) |
| InChIKey | InChI | 1.03 | OTRZFAIJJHPZSL-UHFFFAOYSA-N |
