Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1c(c2c(nc1)n(nc2c3cc4ccnc4nc3)C5CCCC5)N |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1ncnc2n(nc(c3cnc4[nH]ccc4c3)c12)C5CCCC5 |
SMILES | CACTVS | 3.341 | Nc1ncnc2n(nc(c3cnc4[nH]ccc4c3)c12)C5CCCC5 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC5)N |
InChI | InChI | 1.03 | InChI=1S/C17H17N7/c18-15-13-14(11-7-10-5-6-19-16(10)20-8-11)23-24(12-3-1-2-4-12)17(13)22-9-21-15/h5-9,12H,1-4H2,(H,19,20)(H2,18,21,22) |
InChIKey | InChI | 1.03 | NVRXTLZYXZNATH-UHFFFAOYSA-N |