Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(sc(c(C)n1)c3nnc(C(C)c2ccc(cc2)OC)c3)C |
InChI | InChI | 1.03 | InChI=1S/C17H19N3OS/c1-10(13-5-7-14(21-4)8-6-13)15-9-16(20-19-15)17-11(2)18-12(3)22-17/h5-10H,1-4H3,(H,19,20)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | ABGBHHDSOIOYML-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@@H](C)c2cc([nH]n2)c3sc(C)nc3C |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)[CH](C)c2cc([nH]n2)c3sc(C)nc3C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccc(cc3)OC |
SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)c3ccc(cc3)OC |