4-[3-(4-methoxyphenyl)-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[3-(4-methoxyphenyl)-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylic acid Openeye Name: 4-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylic acid CAS Name: 4-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-1-piperidinecarboxylic acid IUPAC Name: 4-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylic acid Traditional Name: 4-[7-anilino-2-keto-3-(4-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylic acid Formula: C25H26N6O4 MolecularWeight: 474.51174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCN(CC4)C(=O)O)NC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCN(CC4)C(=O)O)NC5=CC=CC=C5

InChI

InChI=1S/C25H26N6O4/c1-35-21-9-7-19(8-10-21)30-16-17-15-26-23(27-18-5-3-2-4-6-18)28-22(17)31(24(30)32)20-11-13-29(14-12-20)25(33)34/h2-10,15,20H,11-14,16H2,1H3,(H,33,34)(H,26,27,28)