種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1nccc(c1CNCc1cc2nccnc2cc1)N1CCNCC1 |
InChI | InChI | 1.03 | InChI=1S/C19H22N6/c1-2-17-18(24-6-5-23-17)11-15(1)12-22-14-16-13-21-4-3-19(16)25-9-7-20-8-10-25/h1-6,11,13,20,22H,7-10,12,14H2 |
InChIKey | InChI | 1.03 | XFJFERUVHIMWDN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C1CN(CCN1)c2ccncc2CNCc3ccc4nccnc4c3 |
SMILES | CACTVS | 3.385 | C1CN(CCN1)c2ccncc2CNCc3ccc4nccnc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CNCc3cnccc3N4CCNCC4)nccn2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1CNCc3cnccc3N4CCNCC4)nccn2 |