Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(\C=C\c1ccc(nc1)N)N(C)Cc3cc2ccccc2n3C |
SMILES_CANONICAL | CACTVS | 3.341 | CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c3ccc(N)nc3 |
SMILES | CACTVS | 3.341 | CN(Cc1cc2ccccc2n1C)C(=O)C=Cc3ccc(N)nc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cn1c2ccccc2cc1CN(C)C(=O)\C=C\c3ccc(nc3)N |
SMILES | OpenEye OEToolkits | 1.5.0 | Cn1c2ccccc2cc1CN(C)C(=O)C=Cc3ccc(nc3)N |
InChI | InChI | 1.03 | InChI=1S/C19H20N4O/c1-22(19(24)10-8-14-7-9-18(20)21-12-14)13-16-11-15-5-3-4-6-17(15)23(16)2/h3-12H,13H2,1-2H3,(H2,20,21)/b10-8+ |
InChIKey | InChI | 1.03 | AKFPMLBVLWZSQX-CSKARUKUSA-N |