Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3cc(c2cn(c1ccc(cc1)O)nn2)nc4C(N(C)C=Cc34)=O |
InChI | InChI | 1.03 | InChI=1S/C17H13N5O2/c1-21-9-8-11-2-7-14(18-16(11)17(21)24)15-10-22(20-19-15)12-3-5-13(23)6-4-12/h2-10,23H,1H3 |
InChIKey | InChI | 1.03 | KANBQBQJUNGFMT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)cc4 |
SMILES | CACTVS | 3.385 | CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(O)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=Cc2ccc(nc2C1=O)c3cn(nn3)c4ccc(cc4)O |