ethyl 1-ethyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-ethyl-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-ethyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-ethyl-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-ethyl-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-ethyl-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN=C1SCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C(=CN=C1SCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C16H18N2O3S/c1-3-18-14(19)13(15(20)21-4-2)10-17-16(18)22-11-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3