[4-(4-phenylmethoxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine

Systemtic Name: [4-(4-phenylmethoxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine Openeye Name: [4-(4-benzyloxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidyl]methanamine CAS Name: [4-(4-phenylmethoxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidinyl]methanamine IUPAC Name: [4-(4-phenylmethoxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine Traditional Name: [4-(4-benzoxyphenyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4-piperidyl]methylamine Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CN)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC=NC5=C4C=CN5

Isomeric SMILES

C1CN(CCC1(CN)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=NC=NC5=C4C=CN5

InChI

InChI=1S/C25H27N5O/c26-17-25(20-6-8-21(9-7-20)31-16-19-4-2-1-3-5-19)11-14-30(15-12-25)24-22-10-13-27-23(22)28-18-29-24/h1-10,13,18H,11-12,14-17,26H2,(H,27,28,29)