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概要
| 表記: | 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine |
| 組成式: | C20 H23 N7 O2 S |
| 電荷: | 0 |
| 化学式量: | 425.507 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 | 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine |
| OpenEye OEToolkits | 2.0.7 | 2-methoxy-6-propyl-~{N}-[2-[4-(1~{H}-1,2,3,4-tetrazol-5-ylmethoxy)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine |
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 | COc1nc(NCCc2ccc(OCc3nnn[NH]3)cc2)c2cc(CCC)sc2n1 |
| InChI | InChI | 1.03 | InChI=1S/C20H23N7O2S/c1-3-4-15-11-16-18(22-20(28-2)23-19(16)30-15)21-10-9-13-5-7-14(8-6-13)29-12-17-24-26-27-25-17/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,22,23)(H,24,25,26,27) |
| InChIKey | InChI | 1.03 | ACCUSJFCOLLWHH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1sc2nc(OC)nc(NCCc3ccc(OCc4[nH]nnn4)cc3)c2c1 |
| SMILES | CACTVS | 3.385 | CCCc1sc2nc(OC)nc(NCCc3ccc(OCc4[nH]nnn4)cc3)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCc1cc2c(nc(nc2s1)OC)NCCc3ccc(cc3)OCc4[nH]nnn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCc1cc2c(nc(nc2s1)OC)NCCc3ccc(cc3)OCc4[nH]nnn4 |
