methyl 3-(2,5-dimethylphenyl)-6-(2-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-(2,5-dimethylphenyl)-6-(2-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-(2,5-dimethylphenyl)-6-(2-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-(2,5-dimethylphenyl)-6-(2-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(2,5-dimethylphenyl)-6-(2-fluorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-(2,5-dimethylphenyl)-6-(2-fluorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=C(C(NC2=S)C3=CC=CC=C3F)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C(C(NC2=S)C3=CC=CC=C3F)C(=O)OC)C

InChI

InChI=1S/C21H21FN2O2S/c1-12-9-10-13(2)17(11-12)24-14(3)18(20(25)26-4)19(23-21(24)27)15-7-5-6-8-16(15)22/h5-11,19H,1-4H3,(H,23,27)