Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCC)Nc2nc(c3N=C(c1ccccc1)C(Nc3c2)C)N |
SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)Nc1cc2N[C@H](C)C(=Nc2c(N)n1)c3ccccc3 |
SMILES | CACTVS | 3.370 | CCOC(=O)Nc1cc2N[CH](C)C(=Nc2c(N)n1)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCOC(=O)Nc1cc2c(c(n1)N)N=C([C@H](N2)C)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.7.0 | CCOC(=O)Nc1cc2c(c(n1)N)N=C(C(N2)C)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | XXBDOTXPQDVHIP-SNVBAGLBSA-N |