7-pyridin-2-yl-2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 7-pyridin-2-yl-2-[(3,4,5-trimethoxyphenyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 7-(2-pyridyl)-2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 7-(2-pyridinyl)-2-(3,4,5-trimethoxyanilino)-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 7-pyridin-2-yl-2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 7-(2-pyridyl)-2-(3,4,5-trimethoxyanilino)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=C3C=C(N(C3=N2)C4=CC=CC=N4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=C3C=C(N(C3=N2)C4=CC=CC=N4)C(=O)O

InChI

InChI=1S/C21H19N5O5/c1-29-15-9-13(10-16(30-2)18(15)31-3)24-21-23-11-12-8-14(20(27)28)26(19(12)25-21)17-6-4-5-7-22-17/h4-11H,1-3H3,(H,27,28)(H,23,24,25)