Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c12c(ncnc1n(CC)c(n2)c3cnc(nc3)C)c5ccc6NC(C(C)(Cc4ccccc4)c6c5)=O |
InChI | InChI | 1.03 | InChI=1S/C28H25N7O/c1-4-35-25(20-14-29-17(2)30-15-20)34-24-23(31-16-32-26(24)35)19-10-11-22-21(12-19)28(3,27(36)33-22)13-18-8-6-5-7-9-18/h5-12,14-16H,4,13H2,1-3H3,(H,33,36)/t28-/m0/s1 |
InChIKey | InChI | 1.03 | FFRRAJYYORCXFZ-NDEPHWFRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCn1c(nc2c1ncnc2c3ccc4NC(=O)[C@@](C)(Cc5ccccc5)c4c3)c6cnc(C)nc6 |
SMILES | CACTVS | 3.385 | CCn1c(nc2c1ncnc2c3ccc4NC(=O)[C](C)(Cc5ccccc5)c4c3)c6cnc(C)nc6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1c2c(c(ncn2)c3ccc4c(c3)[C@](C(=O)N4)(C)Cc5ccccc5)nc1c6cnc(nc6)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCn1c2c(c(ncn2)c3ccc4c(c3)C(C(=O)N4)(C)Cc5ccccc5)nc1c6cnc(nc6)C |