1-[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 1-[2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-1-yl]ethanone Openeye Name: 1-[2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-1-yl]ethanone CAS Name: 1-[2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)-1-pyrrolidinyl]ethanone IUPAC Name: 1-[2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-1-yl]ethanone Traditional Name: 1-(2-adenin-9-yl-3,4-dihydroxy-5-methylol-pyrrolidino)ethanone Formula: C12H16N6O4 MolecularWeight: 308.29324

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(C(C1N2C=NC3=C2N=CN=C3N)O)O)CO

Isomeric SMILES

CC(=O)N1C(C(C(C1N2C=NC3=C2N=CN=C3N)O)O)CO

InChI

InChI=1S/C12H16N6O4/c1-5(20)18-6(2-19)8(21)9(22)12(18)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19,21-22H,2H2,1H3,(H2,13,14,15)