Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(Nc1nnnn1)(c4cc(c2ccccc2)n(c3ccccc3)n4)=O |
InChI | InChI | 1.03 | InChI=1S/C17H13N7O/c25-16(18-17-19-22-23-20-17)14-11-15(12-7-3-1-4-8-12)24(21-14)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,22,23,25) |
InChIKey | InChI | 1.03 | QVLVNOAMAMUIJM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1[nH]nnn1)c2cc(n(n2)c3ccccc3)c4ccccc4 |
SMILES | CACTVS | 3.385 | O=C(Nc1[nH]nnn1)c2cc(n(n2)c3ccccc3)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4 |