Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H18N8/c1-17(6-7-17)24-15-14-13(4-3-11(20-14)5-8-18)22-16(23-15)21-12-9-19-25(2)10-12/h3-4,9-10H,5-7H2,1-2H3,(H2,21,22,23,24) |
InChIKey | InChI | 1.03 | JFENAOLGJWVSCK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(Nc2nc(NC3(C)CC3)c4nc(CC#N)ccc4n2)cn1 |
SMILES | CACTVS | 3.385 | Cn1cc(Nc2nc(NC3(C)CC3)c4nc(CC#N)ccc4n2)cn1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4cnn(c4)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CC1)Nc2c3c(ccc(n3)CC#N)nc(n2)Nc4cnn(c4)C |