tert-butyl 4-[4-[(4-phenylmethoxyphenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-phenylmethoxyphenyl)amino]pyrido[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-benzyloxyanilino)pyrido[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate CAS Name: 4-[4-(4-phenylmethoxyanilino)-6-pyrido[3,4-d]pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-phenylmethoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-benzoxyanilino)pyrido[3,4-d]pyrimidin-6-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H32N6O3 MolecularWeight: 512.60278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C3C(=C2)C(=NC=N3)NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C3C(=C2)C(=NC=N3)NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H32N6O3/c1-29(2,3)38-28(36)35-15-13-34(14-16-35)26-17-24-25(18-30-26)31-20-32-27(24)33-22-9-11-23(12-10-22)37-19-21-7-5-4-6-8-21/h4-12,17-18,20H,13-16,19H2,1-3H3,(H,31,32,33)