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

Systemtic Name: methyl 5-azanyl-2-(4-chlorophenyl)-4-oxidanylidene-1H-pyrimidine-6-carboxylate Openeye Name: methyl 5-amino-2-(4-chlorophenyl)-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 5-amino-2-(4-chlorophenyl)-4-oxo-1H-pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-2-(4-chlorophenyl)-4-oxo-1H-pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(4-chlorophenyl)-4-keto-1H-pyrimidine-6-carboxylic acid methyl ester Formula: C12H10ClN3O3 MolecularWeight: 279.6791

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN3O3/c1-19-12(18)9-8(14)11(17)16-10(15-9)6-2-4-7(13)5-3-6/h2-5H,14H2,1H3,(H,15,16,17)