ethyl 2-oxidanylidene-6-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-6-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[[2-(trifluoromethyl)-4-quinazolinyl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[[2-(trifluoromethyl)quinazolin-4-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H15F3N4O3S MolecularWeight: 412.38621

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC(=NC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H15F3N4O3S/c1-2-27-14(25)10-7-21-16(26)23-12(10)8-28-13-9-5-3-4-6-11(9)22-15(24-13)17(18,19)20/h3-6H,2,7-8H2,1H3,(H2,21,23,26)