2-cyanoethyl (4R)-4-(3-bromophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-cyanoethyl (4R)-4-(3-bromophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-cyanoethyl (4R)-4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (4R)-4-(3-bromophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3-bromophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-cyanoethyl ester Formula: C15H14BrN3O3 MolecularWeight: 364.19396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)OCCC#N

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC(=CC=C2)Br)C(=O)OCCC#N

InChI

InChI=1S/C15H14BrN3O3/c1-9-12(14(20)22-7-3-6-17)13(19-15(21)18-9)10-4-2-5-11(16)8-10/h2,4-5,8,13H,3,7H2,1H3,(H2,18,19,21)/t13-/m1/s1