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

Systemtic Name: tert-butyl 3-[3-(4-methoxyphenyl)-2-oxidanylidene-7-phenylazanyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylate CAS Name: 3-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[7-anilino-3-(4-methoxyphenyl)-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylate Traditional Name: 3-[7-anilino-2-keto-3-(4-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H34N6O4 MolecularWeight: 530.61806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)N2C3=NC(=NC=C3CN(C2=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)N2C3=NC(=NC=C3CN(C2=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C5

InChI

InChI=1S/C29H34N6O4/c1-29(2,3)39-28(37)33-16-8-11-23(19-33)35-25-20(17-30-26(32-25)31-21-9-6-5-7-10-21)18-34(27(35)36)22-12-14-24(38-4)15-13-22/h5-7,9-10,12-15,17,23H,8,11,16,18-19H2,1-4H3,(H,30,31,32)