Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2C(=Nc1c(nc(nc1C)N)N2C(C)C)c3cnnc3 |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)N1C(=O)C(=Nc2c(C)nc(N)nc12)c3c[nH]nc3 |
SMILES | CACTVS | 3.370 | CC(C)N1C(=O)C(=Nc2c(C)nc(N)nc12)c3c[nH]nc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C(C)C |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c2c(nc(n1)N)N(C(=O)C(=N2)c3c[nH]nc3)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C13H15N7O/c1-6(2)20-11-9(7(3)17-13(14)19-11)18-10(12(20)21)8-4-15-16-5-8/h4-6H,1-3H3,(H,15,16)(H2,14,17,19) |
InChIKey | InChI | 1.03 | YIFGKPFEGAUADP-UHFFFAOYSA-N |