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

Systemtic Name: 4-[4-azanyl-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-2-carboxylic acid Openeye Name: 4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-2-carboxylic acid CAS Name: 4-[4-amino-5-(3-hydroxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-2-piperidinecarboxylic acid IUPAC Name: 4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-2-carboxylic acid Traditional Name: 4-[4-amino-5-(3-hydroxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pipecolinic acid Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CC1N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)O)C(=O)O

Isomeric SMILES

C1CNC(CC1N2C=C(C3=C2N=CN=C3N)C4=CC(=CC=C4)O)C(=O)O

InChI

InChI=1S/C18H19N5O3/c19-16-15-13(10-2-1-3-12(24)6-10)8-23(17(15)22-9-21-16)11-4-5-20-14(7-11)18(25)26/h1-3,6,8-9,11,14,20,24H,4-5,7H2,(H,25,26)(H2,19,21,22)