methyl 4-[4-(diethylamino)phenyl]-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[4-(diethylamino)phenyl]-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(diethylamino)phenyl]-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-(diethylamino)phenyl]-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(diethylamino)phenyl]-6-(4-fluorophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-(diethylamino)phenyl]-6-(4-fluorophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H24FN3O2S MolecularWeight: 413.508263

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C22H24FN3O2S/c1-4-26(5-2)17-12-8-15(9-13-17)20-18(21(27)28-3)19(24-22(29)25-20)14-6-10-16(23)11-7-14/h6-13,20H,4-5H2,1-3H3,(H2,24,25,29)