Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Cn1cc(nc1COc1ccc2nc(C)c(C)n2n1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C19H19N5O/c1-13-14(2)24-17(20-13)9-10-19(22-24)25-12-18-21-16(11-23(18)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3 |
InChIKey | InChI | 1.03 | QXYBYVXOVCAYLM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(nc1COc2ccc3nc(C)c(C)n3n2)c4ccccc4 |
SMILES | CACTVS | 3.385 | Cn1cc(nc1COc2ccc3nc(C)c(C)n3n2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(n2c(n1)ccc(n2)OCc3nc(cn3C)c4ccccc4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(n2c(n1)ccc(n2)OCc3nc(cn3C)c4ccccc4)C |