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

Systemtic Name: ethyl 4-[4-(3-fluoranyl-4-methoxy-phenyl)sulfanylphenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(3-fluoro-4-methoxy-phenyl)sulfanylphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[(3-fluoro-4-methoxyphenyl)thio]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-fluoro-4-methoxyphenyl)sulfanylphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[(3-fluoro-4-methoxy-phenyl)thio]phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)SC3=CC(=C(C=C3)OC)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)SC3=CC(=C(C=C3)OC)F)C

InChI

InChI=1S/C21H21FN2O4S/c1-4-28-20(25)18-12(2)23-21(26)24-19(18)13-5-7-14(8-6-13)29-15-9-10-17(27-3)16(22)11-15/h5-11,19H,4H2,1-3H3,(H2,23,24,26)