Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(C)C(=O)Cn1cc(cn1)c1cc2c([NH]1)ncnc2NC(c1ccc2OCCOc2c1)C(C)C |
InChI | InChI | 1.06 | InChI=1S/C25H29N7O3/c1-15(2)23(16-5-6-20-21(9-16)35-8-7-34-20)30-25-18-10-19(29-24(18)26-14-27-25)17-11-28-32(12-17)13-22(33)31(3)4/h5-6,9-12,14-15,23H,7-8,13H2,1-4H3,(H2,26,27,29,30)/t23-/m0/s1 |
InChIKey | InChI | 1.06 | AUYUXKUHCFEGAY-QHCPKHFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](Nc1ncnc2[nH]c(cc12)c3cnn(CC(=O)N(C)C)c3)c4ccc5OCCOc5c4 |
SMILES | CACTVS | 3.385 | CC(C)[CH](Nc1ncnc2[nH]c(cc12)c3cnn(CC(=O)N(C)C)c3)c4ccc5OCCOc5c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H](c1ccc2c(c1)OCCO2)Nc3c4cc([nH]c4ncn3)c5cnn(c5)CC(=O)N(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(c1ccc2c(c1)OCCO2)Nc3c4cc([nH]c4ncn3)c5cnn(c5)CC(=O)N(C)C |