種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C18H23N8O/c19-11-16-22-17(25-7-9-27-10-8-25)24-18(23-16)26(15-3-1-2-4-15)13-14-12-20-5-6-21-14/h5-6,11-12,15H,1-4,7-10,13H2/q-1 |
InChIKey | InChI | 1.03 | STLUWEWHBPWICK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | [N-]=Cc1nc(nc(n1)N(Cc2cnccn2)C3CCCC3)N4CCOCC4 |
SMILES | CACTVS | 3.385 | [N-]=Cc1nc(nc(n1)N(Cc2cnccn2)C3CCCC3)N4CCOCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cnc(cn1)CN(c2nc(nc(n2)N3CCOCC3)C=[N-])C4CCCC4 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cnc(cn1)CN(c2nc(nc(n2)N3CCOCC3)C=[N-])C4CCCC4 |