種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | n1c(nc3c4cccnc4oc3c1N2CCOCC2)c5cc(N)cc(O)c5 |
InChI | InChI | 1.03 | InChI=1S/C19H17N5O3/c20-12-8-11(9-13(25)10-12)17-22-15-14-2-1-3-21-19(14)27-16(15)18(23-17)24-4-6-26-7-5-24/h1-3,8-10,25H,4-7,20H2 |
InChIKey | InChI | 1.03 | GLRIVBFMSWURTM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1cc(O)cc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2 |
SMILES | CACTVS | 3.370 | Nc1cc(O)cc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c3c(c(nc(n3)c4cc(cc(c4)O)N)N5CCOCC5)oc2nc1 |