Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1cc(cc2c1nc(nc2N)N)N(c3ccc(cc3)C(C)C)C |
InChI | InChI | 1.03 | InChI=1S/C17H20N6/c1-10(2)11-4-6-12(7-5-11)23(3)13-8-14-15(18)21-17(19)22-16(14)20-9-13/h4-10H,1-3H3,(H4,18,19,20,21,22) |
InChIKey | InChI | 1.03 | CRSDIJKYSOUKQH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)c1ccc(cc1)N(C)c2cnc3nc(N)nc(N)c3c2 |
SMILES | CACTVS | 3.370 | CC(C)c1ccc(cc1)N(C)c2cnc3nc(N)nc(N)c3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)c1ccc(cc1)N(C)c2cc3c(nc(nc3nc2)N)N |