propan-2-yl 6-(3-bromanyl-4-fluoranyl-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 6-(3-bromanyl-4-fluoranyl-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-(3-bromo-4-fluoro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromo-4-fluorophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-(3-bromo-4-fluorophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-bromo-4-fluoro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C18H20BrFN2O2S MolecularWeight: 427.331003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC(=C(C=C3)F)Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=CC(=C(C=C3)F)Br)C(=O)OC(C)C

InChI

InChI=1S/C18H20BrFN2O2S/c1-9(2)24-17(23)15-10(3)22(12-5-6-12)18(25)21-16(15)11-4-7-14(20)13(19)8-11/h4,7-9,12,16H,5-6H2,1-3H3,(H,21,25)