methyl 2-azanyl-7-[2,3-bis(oxidanyl)propyl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 2-azanyl-7-[2,3-bis(oxidanyl)propyl]-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 2-amino-7-(2,3-dihydroxypropyl)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylate CAS Name: 2-amino-7-(2,3-dihydroxypropyl)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-7-(2,3-dihydroxypropyl)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 2-amino-7-glyceryl-4-keto-1H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C11H14N4O5 MolecularWeight: 282.25266

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=C1C(=O)N=C(N2)N)CC(CO)O

Isomeric SMILES

COC(=O)C1=CN(C2=C1C(=O)N=C(N2)N)CC(CO)O

InChI

InChI=1S/C11H14N4O5/c1-20-10(19)6-3-15(2-5(17)4-16)8-7(6)9(18)14-11(12)13-8/h3,5,16-17H,2,4H2,1H3,(H3,12,13,14,18)