種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c4c(CN(c2cc(c1ccsc1)nc(n2)N)Cc3ccccn3)nccc4 |
InChI | InChI | 1.03 | InChI=1S/C20H18N6S/c21-20-24-18(15-7-10-27-14-15)11-19(25-20)26(12-16-5-1-3-8-22-16)13-17-6-2-4-9-23-17/h1-11,14H,12-13H2,(H2,21,24,25) |
InChIKey | InChI | 1.03 | GNKFSGIISAKKRV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1nc(cc(n1)c2cscc2)N(Cc3ccccn3)Cc4ccccn4 |
SMILES | CACTVS | 3.385 | Nc1nc(cc(n1)c2cscc2)N(Cc3ccccn3)Cc4ccccn4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4 |
SMILES | OpenEye OEToolkits | 2.0.4 | c1ccnc(c1)CN(Cc2ccccn2)c3cc(nc(n3)N)c4ccsc4 |