Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n2c1c(nc(OC)cc1)n4c(c2C)c(nc4c3c(ccnc3)C)C |
InChI | InChI | 1.03 | InChI=1S/C18H17N5O/c1-10-7-8-19-9-13(10)17-21-12(3)16-11(2)20-14-5-6-15(24-4)22-18(14)23(16)17/h5-9H,1-4H3 |
InChIKey | InChI | 1.03 | VAYNYSLGOOSRMO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2nc(C)c3n(c2n1)c(nc3C)c4cnccc4C |
SMILES | CACTVS | 3.370 | COc1ccc2nc(C)c3n(c2n1)c(nc3C)c4cnccc4C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C |
SMILES | OpenEye OEToolkits | 1.7.2 | Cc1ccncc1c2nc(c3n2c4c(ccc(n4)OC)nc3C)C |