ethyl 6-methyl-4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-[4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-[4-(2-morpholino-2-oxo-ethoxy)phenyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(2-keto-2-morpholino-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OCC(=O)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)OCC(=O)N3CCOCC3)C

InChI

InChI=1S/C20H25N3O5S/c1-3-27-19(25)17-13(2)21-20(29)22-18(17)14-4-6-15(7-5-14)28-12-16(24)23-8-10-26-11-9-23/h4-7,18H,3,8-12H2,1-2H3,(H2,21,22,29)