種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | n4n1c(nnc1CNc2c3ncc(OC)cc3ncc2)ccc4c5snc(c5)C |
InChI | InChI | 1.03 | InChI=1S/C19H16N8OS/c1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h3-9H,10H2,1-2H3,(H,20,21) |
InChIKey | InChI | 1.03 | QMWKLCXWSJTEFT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cnc2c(NCc3nnc4ccc(nn34)c5snc(C)c5)ccnc2c1 |
SMILES | CACTVS | 3.370 | COc1cnc2c(NCc3nnc4ccc(nn34)c5snc(C)c5)ccnc2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(sn1)c2ccc3nnc(n3n2)CNc4ccnc5c4ncc(c5)OC |