Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12nc(nc(c1c(C)c(n2C)Sc3ccc(OC)cc3)N)N |
InChI | InChI | 1.03 | InChI=1S/C15H17N5OS/c1-8-11-12(16)18-15(17)19-13(11)20(2)14(8)22-10-6-4-9(21-3)5-7-10/h4-7H,1-3H3,(H4,16,17,18,19) |
InChIKey | InChI | 1.03 | OKWZEJPRXOZLRD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Sc2n(C)c3nc(N)nc(N)c3c2C)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(Sc2n(C)c3nc(N)nc(N)c3c2C)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1c2c(nc(nc2n(c1Sc3ccc(cc3)OC)C)N)N |
SMILES | OpenEye OEToolkits | 2.0.4 | Cc1c2c(nc(nc2n(c1Sc3ccc(cc3)OC)C)N)N |