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

Systemtic Name: ethyl 6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 1-benzyl-2-benzylsulfanyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 6-oxo-1-(phenylmethyl)-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-benzylsulfanyl-6-oxopyrimidine-5-carboxylate Traditional Name: 1-benzyl-2-(benzylthio)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-2-26-20(25)18-13-22-21(27-15-17-11-7-4-8-12-17)23(19(18)24)14-16-9-5-3-6-10-16/h3-13H,2,14-15H2,1H3