JM0
概要
表記: | N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide |
組成式: | C15 H19 N5 O3 S |
電荷: | 0 |
化学式量: | 349.408 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 | N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide |
OpenEye OEToolkits | 2.0.7 | ~{N}-(12-methoxy-5-methyl-3-propyl-2,4,8,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(13),3,5,7,9,11-hexaen-7-yl)methanesulfonamide |
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 | CS(=O)(=O)Nc1nc2ccc(OC)nc2n2c1c(C)nc2CCC |
InChI | InChI | 1.03 | InChI=1S/C15H19N5O3S/c1-5-6-11-16-9(2)13-14(19-24(4,21)22)17-10-7-8-12(23-3)18-15(10)20(11)13/h7-8H,5-6H2,1-4H3,(H,17,19) |
InChIKey | InChI | 1.03 | WYHTXPAKFZNNJB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCc1nc(C)c2n1c3nc(OC)ccc3nc2N[S](C)(=O)=O |
SMILES | CACTVS | 3.385 | CCCc1nc(C)c2n1c3nc(OC)ccc3nc2N[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCc1nc(c2n1c3c(ccc(n3)OC)nc2NS(=O)(=O)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCc1nc(c2n1c3c(ccc(n3)OC)nc2NS(=O)(=O)C)C |