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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid Traditional Name: 3-(4-methoxyphenyl)-1-piperonyl-2H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=C3C=CN=C3N(C2C(=O)O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C=C3C=CN=C3N(C2C(=O)O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H19N3O5/c1-28-17-5-3-16(4-6-17)24-12-15-8-9-23-20(15)25(21(24)22(26)27)11-14-2-7-18-19(10-14)30-13-29-18/h2-10,12,21H,11,13H2,1H3,(H,26,27)