methyl (4S)-4-[2,6-bis(fluoranyl)phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-[2,6-bis(fluoranyl)phenyl]-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2,6-difluorophenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,6-difluorophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2,6-difluorophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,6-difluorophenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C15H16F2N2O2S MolecularWeight: 326.361546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=C(C=CC=C2F)F)C(=O)OC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1)C2=C(C=CC=C2F)F)C(=O)OC

InChI

InChI=1S/C15H16F2N2O2S/c1-3-5-10-12(14(20)21-2)13(19-15(22)18-10)11-8(16)6-4-7-9(11)17/h4,6-7,13H,3,5H2,1-2H3,(H2,18,19,22)/t13-/m1/s1