piperidin-1-yl 3-[4-azanyl-5-(2-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carboxylate

Systemtic Name: piperidin-1-yl 3-[4-azanyl-5-(2-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carboxylate Openeye Name: 1-piperidyl 3-[4-amino-5-(2-benzyloxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutanecarboxylate CAS Name: 3-[4-amino-5-(2-phenylmethoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-cyclobutanecarboxylic acid 1-piperidinyl ester IUPAC Name: piperidin-1-yl 3-[4-amino-5-(2-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carboxylate Traditional Name: 3-[4-amino-5-(2-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutanecarboxylic acid piperidino ester Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)OC(=O)C2CC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC=CC=C5OCC6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)OC(=O)C2CC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC=CC=C5OCC6=CC=CC=C6

InChI

InChI=1S/C29H31N5O3/c30-27-26-24(23-11-5-6-12-25(23)36-18-20-9-3-1-4-10-20)17-34(28(26)32-19-31-27)22-15-21(16-22)29(35)37-33-13-7-2-8-14-33/h1,3-6,9-12,17,19,21-22H,2,7-8,13-16,18H2,(H2,30,31,32)