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

Systemtic Name: methyl 4-[2,5-dimethyl-3-[(phenylmethylsulfanyl)methyl]phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2C(=C(NC(=O)N2)C)C(=O)OC)C)CSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C(=C1)C2C(=C(NC(=O)N2)C)C(=O)OC)C)CSCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O3S/c1-14-10-18(13-29-12-17-8-6-5-7-9-17)15(2)19(11-14)21-20(22(26)28-4)16(3)24-23(27)25-21/h5-11,21H,12-13H2,1-4H3,(H2,24,25,27)