ethyl 6-(3-bromophenyl)-4-methyl-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3-bromophenyl)-4-methyl-2-oxidanylidene-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-allyl-6-(3-bromophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-bromophenyl)-4-methyl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-bromophenyl)-4-methyl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-allyl-6-(3-bromophenyl)-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O3/c1-4-9-20-11(3)14(16(21)23-5-2)15(19-17(20)22)12-7-6-8-13(18)10-12/h4,6-8,10,15H,1,5,9H2,2-3H3,(H,19,22)