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

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2H-pyrrolo[2,3-d]pyrimidine-2-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2H-pyrrolo[2,3-d]pyrimidine-2-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2H-pyrrolo[2,3-d]pyrimidine-2-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-piperonyl-2H-pyrrolo[2,3-d]pyrimidine-2-carboxylic acid ethyl ester Formula: C24H23N3O5 MolecularWeight: 433.45652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1N(C=C2C=CN=C2N1CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)C1N(C=C2C=CN=C2N1CC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C24H23N3O5/c1-3-30-24(28)23-26(18-5-7-19(29-2)8-6-18)14-17-10-11-25-22(17)27(23)13-16-4-9-20-21(12-16)32-15-31-20/h4-12,14,23H,3,13,15H2,1-2H3