種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(c2c1nc(cnc1nc2)c3cc(OC)c(OC)c(OC)c3)NC(C)C |
InChI | InChI | 1.03 | InChI=1S/C19H22N4O4/c1-10(2)22-19(24)12-8-20-18-16(12)23-13(9-21-18)11-6-14(25-3)17(27-5)15(7-11)26-4/h6-10H,1-5H3,(H,20,21)(H,22,24) |
InChIKey | InChI | 1.03 | WWUBOSRORWJGRU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(cc(OC)c1OC)c2cnc3[nH]cc(C(=O)NC(C)C)c3n2 |
SMILES | CACTVS | 3.370 | COc1cc(cc(OC)c1OC)c2cnc3[nH]cc(C(=O)NC(C)C)c3n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3cc(c(c(c3)OC)OC)OC |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)NC(=O)c1c[nH]c2c1nc(cn2)c3cc(c(c(c3)OC)OC)OC |