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

Systemtic Name: 4-[4-azanyl-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-2-carboxylic acid Openeye Name: 4-[4-amino-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-2-carboxylic acid CAS Name: 4-[4-amino-5-(4-methoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-2-piperidinecarboxylic acid IUPAC Name: 4-[4-amino-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-2-carboxylic acid Traditional Name: 4-[4-amino-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]pipecolinic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCNC(C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCNC(C4)C(=O)O

InChI

InChI=1S/C19H21N5O3/c1-27-13-4-2-11(3-5-13)14-9-24(18-16(14)17(20)22-10-23-18)12-6-7-21-15(8-12)19(25)26/h2-5,9-10,12,15,21H,6-8H2,1H3,(H,25,26)(H2,20,22,23)