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

Systemtic Name: methyl 4-(4-nitrophenyl)-2-oxidanylidene-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-nitrophenyl)-2-oxo-6-(thiomorpholinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-nitrophenyl)-2-oxo-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-nitrophenyl)-2-oxo-6-(thiomorpholin-4-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(4-nitrophenyl)-6-(thiomorpholinomethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])CN3CCSCC3

Isomeric SMILES

COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])CN3CCSCC3

InChI

InChI=1S/C17H20N4O5S/c1-26-16(22)14-13(10-20-6-8-27-9-7-20)18-17(23)19-15(14)11-2-4-12(5-3-11)21(24)25/h2-5,15H,6-10H2,1H3,(H2,18,19,23)