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

Systemtic Name: pyrrolidin-1-yl 3-[4-azanyl-5-(2-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutane-1-carboxylate Openeye Name: pyrrolidin-1-yl 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-pyrrolidinyl ester IUPAC Name: pyrrolidin-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 pyrrolidino ester Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)OC(=O)C2CC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC=CC=C5OCC6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)OC(=O)C2CC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC=CC=C5OCC6=CC=CC=C6

InChI

InChI=1S/C28H29N5O3/c29-26-25-23(22-10-4-5-11-24(22)35-17-19-8-2-1-3-9-19)16-33(27(25)31-18-30-26)21-14-20(15-21)28(34)36-32-12-6-7-13-32/h1-5,8-11,16,18,20-21H,6-7,12-15,17H2,(H2,29,30,31)