Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1ccc(cc1)c2nc4c(c2)cc(c3cnnc3)cn4 |
InChI | InChI | 1.03 | InChI=1S/C16H12N4/c1-2-4-11(5-3-1)15-7-12-6-13(8-17-16(12)20-15)14-9-18-19-10-14/h1-10H,(H,17,20)(H,18,19) |
InChIKey | InChI | 1.03 | NSAWQZXLJIAJFT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | [nH]1cc(cn1)c2cnc3[nH]c(cc3c2)c4ccccc4 |
SMILES | CACTVS | 3.385 | [nH]1cc(cn1)c2cnc3[nH]c(cc3c2)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc3cc(cnc3[nH]2)c4c[nH]nc4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2cc3cc(cnc3[nH]2)c4c[nH]nc4 |