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

Systemtic Name: methyl 6-methyl-4-[5-methyl-4-[(phenylmethylsulfanyl)methyl]thiophen-2-yl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(benzylsulfanylmethyl)-5-methyl-2-thienyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[5-methyl-4-[(phenylmethylthio)methyl]-2-thiophenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(benzylsulfanylmethyl)-5-methylthiophen-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[(benzylthio)methyl]-5-methyl-2-thienyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(S2)C)CSCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(S2)C)CSCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O3S2/c1-12-17(19(23)25-3)18(22-20(24)21-12)16-9-15(13(2)27-16)11-26-10-14-7-5-4-6-8-14/h4-9,18H,10-11H2,1-3H3,(H2,21,22,24)