Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cc1sc(c(n1)C)c2nnc(c2)C(c3ccccc3)C |
InChI | InChI | 1.03 | InChI=1S/C16H17N3S/c1-10(13-7-5-4-6-8-13)14-9-15(19-18-14)16-11(2)17-12(3)20-16/h4-10H,1-3H3,(H,18,19)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | BUFWVGVUFJNORA-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](c1ccccc1)c2cc([nH]n2)c3sc(C)nc3C |
SMILES | CACTVS | 3.385 | C[CH](c1ccccc1)c2cc([nH]n2)c3sc(C)nc3C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c(sc(n1)C)c2cc(n[nH]2)[C@H](C)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c(sc(n1)C)c2cc(n[nH]2)C(C)c3ccccc3 |