methyl 2-(4-chlorophenyl)-5-(2-cyanoethylamino)-4-oxidanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: methyl 2-(4-chlorophenyl)-5-(2-cyanoethylamino)-4-oxidanylidene-1H-pyrimidine-6-carboxylate Openeye Name: methyl 2-(4-chlorophenyl)-5-(2-cyanoethylamino)-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 2-(4-chlorophenyl)-5-(2-cyanoethylamino)-4-oxo-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-chlorophenyl)-5-(2-cyanoethylamino)-4-oxo-1H-pyrimidine-6-carboxylate Traditional Name: 2-(4-chlorophenyl)-5-(2-cyanoethylamino)-4-keto-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C15H13ClN4O3 MolecularWeight: 332.74172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)N=C(N1)C2=CC=C(C=C2)Cl)NCCC#N

Isomeric SMILES

COC(=O)C1=C(C(=O)N=C(N1)C2=CC=C(C=C2)Cl)NCCC#N

InChI

InChI=1S/C15H13ClN4O3/c1-23-15(22)12-11(18-8-2-7-17)14(21)20-13(19-12)9-3-5-10(16)6-4-9/h3-6,18H,2,8H2,1H3,(H,19,20,21)