Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1c(c2c(nc1)n(nc2c4cc3cc(O)ccc3n4)C(C)C)N |
InChI | InChI | 1.03 | InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19) |
InChIKey | InChI | 1.03 | MFAQYJIYDMLAIM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)n1nc(c2[nH]c3ccc(O)cc3c2)c4c(N)ncnc14 |
SMILES | CACTVS | 3.370 | CC(C)n1nc(c2[nH]c3ccc(O)cc3c2)c4c(N)ncnc14 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c(ncn2)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)n1c2c(c(n1)c3cc4cc(ccc4[nH]3)O)c(ncn2)N |