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

Systemtic Name: ethyl 4-[4-(2-chloranyl-6-methyl-phenyl)sulfanylphenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-chloro-6-methyl-phenyl)sulfanylphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[(2-chloro-6-methylphenyl)thio]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-chloro-6-methylphenyl)sulfanylphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[(2-chloro-6-methyl-phenyl)thio]phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)SC3=C(C=CC=C3Cl)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)SC3=C(C=CC=C3Cl)C)C

InChI

InChI=1S/C21H21ClN2O3S/c1-4-27-20(25)17-13(3)23-21(26)24-18(17)14-8-10-15(11-9-14)28-19-12(2)6-5-7-16(19)22/h5-11,18H,4H2,1-3H3,(H2,23,24,26)