Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1ccc(cc1)c3nc4c(c2cn(nc2)CCC)cnc4nc3 |
InChI | InChI | 1.03 | InChI=1S/C17H16N6/c1-2-7-23-11-13(8-21-23)14-9-19-17-16(14)22-15(10-20-17)12-3-5-18-6-4-12/h3-6,8-11H,2,7H2,1H3,(H,19,20) |
InChIKey | InChI | 1.03 | UEKKWQGHDYXDHX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCn1cc(cn1)c2c[nH]c3ncc(nc23)c4ccncc4 |
SMILES | CACTVS | 3.385 | CCCn1cc(cn1)c2c[nH]c3ncc(nc23)c4ccncc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCn1cc(cn1)c2c[nH]c3c2nc(cn3)c4ccncc4 |