種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | n1c(onc1c2ccc(OC)cc2)CSc4nnc(n4c3ccc(OC)cc3)C |
InChI | InChI | 1.03 | InChI=1S/C20H19N5O3S/c1-13-22-23-20(25(13)15-6-10-17(27-3)11-7-15)29-12-18-21-19(24-28-18)14-4-8-16(26-2)9-5-14/h4-11H,12H2,1-3H3 |
InChIKey | InChI | 1.03 | LQZSHPITKSPDLC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)n2c(C)nnc2SCc3onc(n3)c4ccc(OC)cc4 |
SMILES | CACTVS | 3.370 | COc1ccc(cc1)n2c(C)nnc2SCc3onc(n3)c4ccc(OC)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1nnc(n1c2ccc(cc2)OC)SCc3nc(no3)c4ccc(cc4)OC |