cyclobutylmethyl 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]-4-phenyl-piperidine-4-carboxylate

Systemtic Name: cyclobutylmethyl 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]carbonyl]-4-phenyl-piperidine-4-carboxylate Openeye Name: cyclobutylmethyl 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenyl-piperidine-4-carboxylate CAS Name: 1-[[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid cyclobutylmethyl ester IUPAC Name: cyclobutylmethyl 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenylpiperidine-4-carboxylate Traditional Name: 1-[4-(2-acetamidoethylamino)-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbonyl]-4-phenyl-isonipecotic acid cyclobutylmethyl ester Formula: C34H38N6O4 MolecularWeight: 594.70332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OCC5CCC5)C6=CC=CC=C6

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N3CCC(CC3)(C4=CC=CC=C4)C(=O)OCC5CCC5)C6=CC=CC=C6

InChI

InChI=1S/C34H38N6O4/c1-23(41)35-17-18-36-30-27-21-28(37-31(27)39-29(38-30)25-11-4-2-5-12-25)32(42)40-19-15-34(16-20-40,26-13-6-3-7-14-26)33(43)44-22-24-9-8-10-24/h2-7,11-14,21,24H,8-10,15-20,22H2,1H3,(H,35,41)(H2,36,37,38,39)