ethyl 1-(2-azanyl-2-oxidanylidene-ethyl)-2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-(2-azanyl-2-oxidanylidene-ethyl)-2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-(2-amino-2-oxo-ethyl)-2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-(2-amino-2-oxoethyl)-2-[(2-chlorophenyl)methylthio]-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-amino-2-oxoethyl)-2-[(2-chlorophenyl)methylsulfanyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 1-(2-amino-2-keto-ethyl)-2-[(2-chlorobenzyl)thio]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16ClN3O4S MolecularWeight: 381.83394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N)SCC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC(=O)N)SCC2=CC=CC=C2Cl

InChI

InChI=1S/C16H16ClN3O4S/c1-2-24-15(23)11-7-19-16(20(14(11)22)8-13(18)21)25-9-10-5-3-4-6-12(10)17/h3-7H,2,8-9H2,1H3,(H2,18,21)