種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CN(C)C(c1ccccc1)C(C)Nc2nn4c(c3c2cccc3)nnc4C |
InChI | InChI | 1.03 | InChI=1S/C21H24N6/c1-14(19(26(3)4)16-10-6-5-7-11-16)22-20-17-12-8-9-13-18(17)21-24-23-15(2)27(21)25-20/h5-14,19H,1-4H3,(H,22,25)/t14-,19+/m0/s1 |
InChIKey | InChI | 1.03 | MSFPLTWUFWOKBX-IFXJQAMLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Nc1nn2c(C)nnc2c3ccccc13)[C@@H](N(C)C)c4ccccc4 |
SMILES | CACTVS | 3.385 | C[CH](Nc1nn2c(C)nnc2c3ccccc13)[CH](N(C)C)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1nnc2n1nc(c3c2cccc3)N[C@@H](C)[C@H](c4ccccc4)N(C)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1nnc2n1nc(c3c2cccc3)NC(C)C(c4ccccc4)N(C)C |