Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c(c2c(nc1)n(nc2Cc3cc(ccc3C)C)C(C)(C)C)N |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc(C)c(Cc2nn(c3ncnc(N)c23)C(C)(C)C)c1 |
SMILES | CACTVS | 3.341 | Cc1ccc(C)c(Cc2nn(c3ncnc(N)c23)C(C)(C)C)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N)C |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc(c(c1)Cc2c3c(ncnc3n(n2)C(C)(C)C)N)C |
InChI | InChI | 1.03 | InChI=1S/C18H23N5/c1-11-6-7-12(2)13(8-11)9-14-15-16(19)20-10-21-17(15)23(22-14)18(3,4)5/h6-8,10H,9H2,1-5H3,(H2,19,20,21) |
InChIKey | InChI | 1.03 | QUPXEJURIFFVSX-UHFFFAOYSA-N |