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

Systemtic Name: 3-[3-(4-methoxyphenyl)-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carbaldehyde Openeye Name: 3-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carbaldehyde CAS Name: 3-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-1-piperidinecarboxaldehyde IUPAC Name: 3-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carbaldehyde Traditional Name: 3-[7-anilino-2-keto-3-(4-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carbaldehyde Formula: C25H26N6O3 MolecularWeight: 458.51234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCCN(C4)C=O)NC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCCN(C4)C=O)NC5=CC=CC=C5

InChI

InChI=1S/C25H26N6O3/c1-34-22-11-9-20(10-12-22)30-15-18-14-26-24(27-19-6-3-2-4-7-19)28-23(18)31(25(30)33)21-8-5-13-29(16-21)17-32/h2-4,6-7,9-12,14,17,21H,5,8,13,15-16H2,1H3,(H,26,27,28)