65H
概要
| 表記: | 6-[(4-methoxyphenyl)sulfanyl]-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| 組成式: | C15 H17 N5 O S |
| 電荷: | 0 |
| 化学式量: | 315.393 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 6-[(4-methoxyphenyl)sulfanyl]-5,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
| OpenEye OEToolkits | 2.0.4 | 6-(4-methoxyphenyl)sulfanyl-5,7-dimethyl-pyrrolo[2,3-d]pyrimidine-2,4-diamine |
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 | 12.01 | c12nc(nc(c1c(C)c(n2C)Sc3ccc(OC)cc3)N)N |
| InChI | InChI | 1.03 | InChI=1S/C15H17N5OS/c1-8-11-12(16)18-15(17)19-13(11)20(2)14(8)22-10-6-4-9(21-3)5-7-10/h4-7H,1-3H3,(H4,16,17,18,19) |
| InChIKey | InChI | 1.03 | OKWZEJPRXOZLRD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Sc2n(C)c3nc(N)nc(N)c3c2C)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(Sc2n(C)c3nc(N)nc(N)c3c2C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c2c(nc(nc2n(c1Sc3ccc(cc3)OC)C)N)N |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c2c(nc(nc2n(c1Sc3ccc(cc3)OC)C)N)N |
