ethyl 2-azanyl-7-[2,3-bis(oxidanyl)propyl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-azanyl-7-[2,3-bis(oxidanyl)propyl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-amino-7-(2,3-dihydroxypropyl)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-amino-7-(2,3-dihydroxypropyl)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-7-(2,3-dihydroxypropyl)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-amino-7-glyceryl-4-keto-1H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C12H16N4O5 MolecularWeight: 296.27924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1CC(CO)O)NC(=NC2=O)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1CC(CO)O)NC(=NC2=O)N

InChI

InChI=1S/C12H16N4O5/c1-2-21-11(20)8-3-7-9(14-12(13)15-10(7)19)16(8)4-6(18)5-17/h3,6,17-18H,2,4-5H2,1H3,(H3,13,14,15,19)