Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c4cccc(c4N=C(N1)c3ccc(c2cn(nc2)C)cc3)CO |
InChI | InChI | 1.03 | InChI=1S/C19H16N4O2/c1-23-10-15(9-20-23)12-5-7-13(8-6-12)18-21-17-14(11-24)3-2-4-16(17)19(25)22-18/h2-10,24H,11H2,1H3,(H,21,22,25) |
InChIKey | InChI | 1.03 | QFGWEEXXBWEZBP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(CO)cccc4C(=O)N3 |
SMILES | CACTVS | 3.385 | Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(CO)cccc4C(=O)N3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO |
SMILES | OpenEye OEToolkits | 1.9.2 | Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO |