7-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 7-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 7-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 7-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)-6-pyrrolo[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 7-(1,3-benzodioxol-5-ylmethyl)-5-(4-methoxyphenyl)pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 5-(4-methoxyphenyl)-7-piperonyl-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N(C3=NC=NC=C23)CC4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N(C3=NC=NC=C23)CC4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C22H17N3O5/c1-28-15-5-3-14(4-6-15)19-16-9-23-11-24-21(16)25(20(19)22(26)27)10-13-2-7-17-18(8-13)30-12-29-17/h2-9,11H,10,12H2,1H3,(H,26,27)