Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N1CCCC1C |
InChI | InChI | 1.03 | InChI=1S/C24H24N6O2/c1-16-7-6-11-30(16)24(32)19-14-25-28(2)22(19)23(31)26-18-10-12-29-15-20(27-21(29)13-18)17-8-4-3-5-9-17/h3-5,8-10,12-16H,6-7,11H2,1-2H3,(H,26,31)/t16-/m1/s1 |
InChIKey | InChI | 1.03 | HONRTOICGWVZKJ-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCCN1C(=O)c2cnn(C)c2C(=O)Nc3ccn4cc(nc4c3)c5ccccc5 |
SMILES | CACTVS | 3.385 | C[CH]1CCCN1C(=O)c2cnn(C)c2C(=O)Nc3ccn4cc(nc4c3)c5ccccc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CCCN1C(=O)c2cnn(c2C(=O)Nc3ccn4cc(nc4c3)c5ccccc5)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCCN1C(=O)c2cnn(c2C(=O)Nc3ccn4cc(nc4c3)c5ccccc5)C |