1-[6-azanyl-9-[2-ethanoyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]ethanone

Systemtic Name: 1-[6-azanyl-9-[2-ethanoyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]ethanone Openeye Name: 1-[9-[2-acetyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-amino-purin-2-yl]ethanone CAS Name: 1-[9-[2-acetyl-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-amino-2-purinyl]ethanone IUPAC Name: 1-[9-[2-acetyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-aminopurin-2-yl]ethanone Traditional Name: 1-[9-(2-acetyl-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-amino-purin-2-yl]ethanone Formula: C14H17N5O6 MolecularWeight: 351.31468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC2=C(C(=N1)N)N=CN2C3(C(C(C(O3)CO)O)O)C(=O)C

Isomeric SMILES

CC(=O)C1=NC2=C(C(=N1)N)N=CN2C3(C(C(C(O3)CO)O)O)C(=O)C

InChI

InChI=1S/C14H17N5O6/c1-5(21)12-17-11(15)8-13(18-12)19(4-16-8)14(6(2)22)10(24)9(23)7(3-20)25-14/h4,7,9-10,20,23-24H,3H2,1-2H3,(H2,15,17,18)