ethyl 4-(3,4-dimethoxyphenyl)-2-oxidanylidene-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-oxidanylidene-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-oxo-6-(thiomorpholinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-oxo-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-oxo-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-keto-6-(thiomorpholinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OC)OC)CN3CCSCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OC)OC)CN3CCSCC3

InChI

InChI=1S/C20H27N3O5S/c1-4-28-19(24)17-14(12-23-7-9-29-10-8-23)21-20(25)22-18(17)13-5-6-15(26-2)16(11-13)27-3/h5-6,11,18H,4,7-10,12H2,1-3H3,(H2,21,22,25)