[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-azanyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate CAS Name: 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate Traditional Name: 5-amino-2,4-diketo-1H-pyrimidine-6-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C14H11N5O5 MolecularWeight: 329.26764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11N5O5/c15-5-7-2-1-3-8(4-7)17-9(20)6-24-13(22)11-10(16)12(21)19-14(23)18-11/h1-4H,6,16H2,(H,17,20)(H2,18,19,21,23)