N-[2-[[2-phenyl-6-[[1-(3-phenylpropyl)piperidin-4-yl]oxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-phenyl-6-[[1-(3-phenylpropyl)piperidin-4-yl]oxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-phenyl-6-[[1-(3-phenylpropyl)-4-piperidyl]oxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[2-phenyl-6-[[1-(3-phenylpropyl)-4-piperidinyl]oxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-phenyl-6-[[1-(3-phenylpropyl)piperidin-4-yl]oxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-phenyl-6-[[1-(3-phenylpropyl)-4-piperidyl]oxymethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C31H38N6O2 MolecularWeight: 526.67242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)COC3CCN(CC3)CCCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)COC3CCN(CC3)CCCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H38N6O2/c1-23(38)32-16-17-33-30-28-21-26(34-31(28)36-29(35-30)25-12-6-3-7-13-25)22-39-27-14-19-37(20-15-27)18-8-11-24-9-4-2-5-10-24/h2-7,9-10,12-13,21,27H,8,11,14-20,22H2,1H3,(H,32,38)(H2,33,34,35,36)