ethyl 1-[(4-cyanophenyl)methyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[(4-cyanophenyl)methyl]-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-[(4-cyanophenyl)methyl]-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-[(4-cyanophenyl)methyl]-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-cyanophenyl)methyl]-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-(4-cyanobenzyl)-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C#N)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=C(C=C2)C#N)SCCC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3S/c1-2-29-22(28)20-15-25-23(30-13-12-17-6-4-3-5-7-17)26(21(20)27)16-19-10-8-18(14-24)9-11-19/h3-11,15H,2,12-13,16H2,1H3