ethyl 4-[3-bromanyl-4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-bromanyl-4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-bromo-4-(dimethylamino)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H20BrN3O2S MolecularWeight: 398.3179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)N(C)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)N(C)C)Br)C

InChI

InChI=1S/C16H20BrN3O2S/c1-5-22-15(21)13-9(2)18-16(23)19-14(13)10-6-7-12(20(3)4)11(17)8-10/h6-8,14H,5H2,1-4H3,(H2,18,19,23)