methyl 4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]benzoate

Systemtic Name: methyl 4-[2-[(4-chlorophenyl)amino]-5-cyano-4-oxidanylidene-1H-pyrimidin-6-yl]benzoate Openeye Name: methyl 4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]benzoate CAS Name: 4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-chloroanilino)-5-cyano-4-oxo-1H-pyrimidin-6-yl]benzoate Traditional Name: 4-[2-(4-chloroanilino)-5-cyano-4-keto-1H-pyrimidin-6-yl]benzoic acid methyl ester Formula: C19H13ClN4O3 MolecularWeight: 380.78452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)NC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C19H13ClN4O3/c1-27-18(26)12-4-2-11(3-5-12)16-15(10-21)17(25)24-19(23-16)22-14-8-6-13(20)7-9-14/h2-9H,1H3,(H2,22,23,24,25)