ethyl 5-[(3,5-dimethoxyphenyl)methyl]-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate

Systemtic Name: ethyl 5-[(3,5-dimethoxyphenyl)methyl]-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate Openeye Name: ethyl 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate CAS Name: 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate Traditional Name: 5-(3,5-dimethoxybenzyl)-4-keto-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C1NC=NC2=O)CC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CN(C2=C1NC=NC2=O)CC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C18H19N3O5/c1-4-26-18(23)14-9-21(16-15(14)19-10-20-17(16)22)8-11-5-12(24-2)7-13(6-11)25-3/h5-7,9-10H,4,8H2,1-3H3,(H,19,20,22)