Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C4N(N=C(Nc1nnc(c1)C)c3ccc(N2CCN(C)CC2)cc34)C(C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)N1N=C(Nc2cc(C)[nH]n2)c3ccc(cc3C1=O)N4CCN(C)CC4 |
SMILES | CACTVS | 3.370 | CC(C)N1N=C(Nc2cc(C)[nH]n2)c3ccc(cc3C1=O)N4CCN(C)CC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2ccc(c3)N4CCN(CC4)C)C(C)C |
SMILES | OpenEye OEToolkits | 1.7.0 | Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2ccc(c3)N4CCN(CC4)C)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C20H27N7O/c1-13(2)27-20(28)17-12-15(26-9-7-25(4)8-10-26)5-6-16(17)19(24-27)21-18-11-14(3)22-23-18/h5-6,11-13H,7-10H2,1-4H3,(H2,21,22,23,24) |
InChIKey | InChI | 1.03 | VLOGKAVNBJBYON-UHFFFAOYSA-N |