Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n2c(c1sc(nc1C)C)ccnc2Nc3ccc(N(C)C)cc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1 |
SMILES | CACTVS | 3.341 | CN(C)c1ccc(Nc2nccc(n2)c3sc(C)nc3C)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(sc(n1)C)c2ccnc(n2)Nc3ccc(cc3)N(C)C |
InChI | InChI | 1.03 | InChI=1S/C17H19N5S/c1-11-16(23-12(2)19-11)15-9-10-18-17(21-15)20-13-5-7-14(8-6-13)22(3)4/h5-10H,1-4H3,(H,18,20,21) |
InChIKey | InChI | 1.03 | FGGSNQOBRJVAKL-UHFFFAOYSA-N |