種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | Cn1nc(cc1NC(=O)c1c(cnn1C)C(=O)N1CCC1)c1ncccc1 |
InChI | InChI | 1.03 | InChI=1S/C18H19N7O2/c1-23-15(10-14(22-23)13-6-3-4-7-19-13)21-17(26)16-12(11-20-24(16)2)18(27)25-8-5-9-25/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,21,26) |
InChIKey | InChI | 1.03 | NSPOMBFWRXNIDE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cc(nn3C)c4ccccn4 |
SMILES | CACTVS | 3.385 | Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc3cc(nn3C)c4ccccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c(cc(n1)c2ccccn2)NC(=O)c3c(cnn3C)C(=O)N4CCC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c(cc(n1)c2ccccn2)NC(=O)c3c(cnn3C)C(=O)N4CCC4 |