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

Systemtic Name: 3-[3-(4-methoxyphenyl)-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylic acid; pentane Openeye Name: 3-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylic acid; pentane CAS Name: 3-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-1-piperidinecarboxylic acid; pentane IUPAC Name: 3-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylic acid; pentane Traditional Name: 3-[7-anilino-2-keto-3-(4-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylic acid; n-pentane Formula: C30H38N6O4 MolecularWeight: 546.66052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N6O4.C5H12/c1-35-21-11-9-19(10-12-21)30-15-17-14-26-23(27-18-6-3-2-4-7-18)28-22(17)31(24(30)32)20-8-5-13-29(16-20)25(33)34;1-3-5-4-2/h2-4,6-7,9-12,14,20H,5,8,13,15-16H2,1H3,(H,33,34)(H,26,27,28);3-5H2,1-2H3