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

Systemtic Name: 4-[4-azanyl-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid Openeye Name: 4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid CAS Name: 4-[4-amino-5-(3-methoxyphenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid Traditional Name: 4-[4-amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylic acid Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCN(CC4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCN(CC4)C(=O)O

InChI

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