Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1N(c2c(N1)cc(cc2)O)c4nc3ccccc3n4 |
InChI | InChI | 1.03 | InChI=1S/C14H10N4O2/c19-8-5-6-12-11(7-8)17-14(20)18(12)13-15-9-3-1-2-4-10(9)16-13/h1-7,19H,(H,15,16)(H,17,20) |
InChIKey | InChI | 1.03 | YOEAQWYCBDUGQE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2N(C(=O)Nc2c1)c3[nH]c4ccccc4n3 |
SMILES | CACTVS | 3.385 | Oc1ccc2N(C(=O)Nc2c1)c3[nH]c4ccccc4n3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)[nH]c(n2)N3c4ccc(cc4NC3=O)O |