ethyl 1-[(4-methylphenyl)methyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[(4-methylphenyl)methyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-6-oxo-1-(p-tolylmethyl)pyrimidine-5-carboxylate CAS Name: 1-[(4-methylphenyl)methyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[(4-methylphenyl)methyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-6-keto-1-(4-methylbenzyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C)SCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S/c1-3-27-21(26)19-13-23-22(28-15-18-7-5-4-6-8-18)24(20(19)25)14-17-11-9-16(2)10-12-17/h4-13H,3,14-15H2,1-2H3