Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1nc(oc1c4cnc5ncc(c3c2ccccc2nc3)cc45)N |
InChI | InChI | 1.03 | InChI=1S/C17H12N6O/c18-17-23-22-16(24-17)13-8-21-15-11(13)5-9(6-20-15)12-7-19-14-4-2-1-3-10(12)14/h1-8,19H,(H2,18,23)(H,20,21) |
InChIKey | InChI | 1.03 | UQPVGCWCXPFUTD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1oc(nn1)c2c[nH]c3ncc(cc23)c4c[nH]c5ccccc45 |
SMILES | CACTVS | 3.385 | Nc1oc(nn1)c2c[nH]c3ncc(cc23)c4c[nH]c5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c(c[nH]2)c3cc4c(c[nH]c4nc3)c5nnc(o5)N |