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

Systemtic Name: ethyl 5-[(4-methoxyphenyl)methyl]-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate Openeye Name: ethyl 5-[(4-methoxyphenyl)methyl]-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate CAS Name: 5-[(4-methoxyphenyl)methyl]-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-methoxyphenyl)methyl]-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylate Traditional Name: 4-keto-5-p-anisyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4/c1-3-24-17(22)13-9-20(15-14(13)18-10-19-16(15)21)8-11-4-6-12(23-2)7-5-11/h4-7,9-10H,3,8H2,1-2H3,(H,18,19,21)