7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-[1-(1H-imidazol-2-ylmethyl)-4-piperidyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-[1-(1H-imidazol-2-ylmethyl)-4-piperidinyl]-5-(4-phenoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-[1-(1H-imidazol-2-ylmethyl)-4-piperidyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C27H27N7O MolecularWeight: 465.54958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)CC6=NC=CN6

Isomeric SMILES

C1CN(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC=C(C=C4)OC5=CC=CC=C5)CC6=NC=CN6

InChI

InChI=1S/C27H27N7O/c28-26-25-23(19-6-8-22(9-7-19)35-21-4-2-1-3-5-21)16-34(27(25)32-18-31-26)20-10-14-33(15-11-20)17-24-29-12-13-30-24/h1-9,12-13,16,18,20H,10-11,14-15,17H2,(H,29,30)(H2,28,31,32)