methyl 1-[5,7-bis(oxidanylidene)-6-phenyl-8H-pyrimido[4,5-d]pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[5,7-bis(oxidanylidene)-6-phenyl-8H-pyrimido[4,5-d]pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-(5,7-dioxo-6-phenyl-8H-pyrimido[4,5-d]pyrimidin-2-yl)piperidine-4-carboxylate CAS Name: 1-(5,7-dioxo-6-phenyl-8H-pyrimido[4,5-d]pyrimidin-2-yl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(5,7-dioxo-6-phenyl-8H-pyrimido[4,5-d]pyrimidin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5,7-diketo-6-phenyl-8H-pyrimido[4,5-d]pyrimidin-2-yl)isonipecotic acid methyl ester Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19N5O4/c1-28-17(26)12-7-9-23(10-8-12)18-20-11-14-15(21-18)22-19(27)24(16(14)25)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,20,21,22,27)