Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1nc4ccc(nn4c1C(c3c2cccnc2nc3)C)NC(C)C |
InChI | InChI | 1.03 | InChI=1S/C17H19N7/c1-10(2)20-14-6-7-15-21-22-17(24(15)23-14)11(3)13-9-19-16-12(13)5-4-8-18-16/h4-11H,1-3H3,(H,18,19)(H,20,23)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | PUIUZHJXBDSQEZ-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Nc1ccc2nnc([C@@H](C)c3c[nH]c4ncccc34)n2n1 |
SMILES | CACTVS | 3.385 | CC(C)Nc1ccc2nnc([CH](C)c3c[nH]c4ncccc34)n2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](c1c[nH]c2c1cccn2)c3nnc4n3nc(cc4)NC(C)C |
SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)Nc1ccc2nnc(n2n1)C(C)c3c[nH]c4c3cccn4 |