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

Systemtic Name: methyl (4S)-4-(3,4-dimethoxyphenyl)-2-oxidanylidene-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(3,4-dimethoxyphenyl)-2-oxo-6-(thiomorpholinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(3,4-dimethoxyphenyl)-2-oxo-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(3,4-dimethoxyphenyl)-2-oxo-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(3,4-dimethoxyphenyl)-2-keto-6-(thiomorpholinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)CN3CCSCC3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2C(=C(NC(=O)N2)CN3CCSCC3)C(=O)OC)OC

InChI

InChI=1S/C19H25N3O5S/c1-25-14-5-4-12(10-15(14)26-2)17-16(18(23)27-3)13(20-19(24)21-17)11-22-6-8-28-9-7-22/h4-5,10,17H,6-9,11H2,1-3H3,(H2,20,21,24)/t17-/m0/s1