Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)n(nc2c4cc3ccc(OC)cc3cc4)C(C)C)N |
InChI | InChI | 1.03 | InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22) |
InChIKey | InChI | 1.03 | YTSDNPLOCDVGNB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc(N)c34 |
SMILES | CACTVS | 3.370 | COc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc(N)c34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N |
SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(ncn2)N |