4-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid

Systemtic Name: 4-[4-azanyl-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid Openeye Name: 4-[4-amino-5-(3-benzyloxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid CAS Name: 4-[4-amino-5-(3-phenylmethoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-amino-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid Traditional Name: 4-[4-amino-5-(3-benzoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCC1N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H25N5O3/c26-23-22-21(18-7-4-8-20(13-18)33-15-17-5-2-1-3-6-17)14-30(24(22)28-16-27-23)19-9-11-29(12-10-19)25(31)32/h1-8,13-14,16,19H,9-12,15H2,(H,31,32)(H2,26,27,28)