methyl 3-cyano-2-(4-methoxyphenyl)-4,8-bis(oxidanylidene)-1H-pyrimido[1,2-a]pyrimidine-6-carboxylate

Systemtic Name: methyl 3-cyano-2-(4-methoxyphenyl)-4,8-bis(oxidanylidene)-1H-pyrimido[1,2-a]pyrimidine-6-carboxylate Openeye Name: methyl 3-cyano-2-(4-methoxyphenyl)-4,8-dioxo-1H-pyrimido[1,2-a]pyrimidine-6-carboxylate CAS Name: 3-cyano-2-(4-methoxyphenyl)-4,8-dioxo-1H-pyrimido[1,2-a]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-cyano-2-(4-methoxyphenyl)-4,8-dioxo-1H-pyrimido[1,2-a]pyrimidine-6-carboxylate Traditional Name: 3-cyano-4,8-diketo-2-(4-methoxyphenyl)-1H-pyrimido[1,2-a]pyrimidine-6-carboxylic acid methyl ester Formula: C17H12N4O5 MolecularWeight: 352.30098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N3C(=CC(=O)N=C3N2)C(=O)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N3C(=CC(=O)N=C3N2)C(=O)OC)C#N

InChI

InChI=1S/C17H12N4O5/c1-25-10-5-3-9(4-6-10)14-11(8-18)15(23)21-12(16(24)26-2)7-13(22)19-17(21)20-14/h3-7H,1-2H3,(H,19,20,22)