[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-pyrimido[1,2-a]pyrimidin-5-ium-3-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-1H-pyrimido[1,2-a]pyrimidin-5-ium-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 4-oxo-1H-pyrimido[1,2-a]pyrimidin-5-ium-3-carboxylate CAS Name: 4-oxo-1H-pyrimido[1,2-a]pyrimidin-5-ium-3-carboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 4-oxo-1H-pyrimido[1,2-a]pyrimidin-5-ium-3-carboxylate Traditional Name: 4-keto-1H-pyrimido[1,2-a]pyrimidin-5-ium-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C18H17N4O4+ MolecularWeight: 353.35198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CNC3=NC=CC=[N+]3C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CNC3=NC=CC=[N+]3C2=O)C

InChI

InChI=1S/C18H16N4O4/c1-11-4-5-13(8-12(11)2)21-15(23)10-26-17(25)14-9-20-18-19-6-3-7-22(18)16(14)24/h3-9H,10H2,1-2H3,(H,21,23)/p+1