ethyl 4-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-(benzylsulfanylmethyl)-2,5-dimethyl-phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[2,5-dimethyl-3-[(phenylmethylthio)methyl]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(benzylsulfanylmethyl)-2,5-dimethylphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-[(benzylthio)methyl]-2,5-dimethyl-phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC(=C2C)CSCC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC(=C2C)CSCC3=CC=CC=C3)C)C

InChI

InChI=1S/C24H28N2O3S/c1-5-29-23(27)21-17(4)25-24(28)26-22(21)20-12-15(2)11-19(16(20)3)14-30-13-18-9-7-6-8-10-18/h6-12,22H,5,13-14H2,1-4H3,(H2,25,26,28)