[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 2,4-diketo-1H-pyrimidine-6-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C16H14N4O5 MolecularWeight: 342.30616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=O)NC(=O)N2

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)C2=CC(=O)NC(=O)N2

InChI

InChI=1S/C16H14N4O5/c17-7-4-8-20(11-5-2-1-3-6-11)14(22)10-25-15(23)12-9-13(21)19-16(24)18-12/h1-3,5-6,9H,4,8,10H2,(H2,18,19,21,24)