9-[(2R)-1,4-bis(oxidanyl)butan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[(2R)-1,4-bis(oxidanyl)butan-2-yl]-3H-purin-6-one Openeye Name: 9-[(1R)-3-hydroxy-1-(hydroxymethyl)propyl]-3H-purin-6-one CAS Name: 9-[(2R)-1,4-dihydroxybutan-2-yl]-3H-purin-6-one IUPAC Name: 9-[(2R)-1,4-dihydroxybutan-2-yl]-3H-purin-6-one Traditional Name: 9-[(1R)-3-hydroxy-1-methylol-propyl]-3H-purin-6-one Formula: C9H12N4O3 MolecularWeight: 224.21658

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)C(CCO)CO

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)[C@H](CCO)CO

InChI

InChI=1S/C9H12N4O3/c14-2-1-6(3-15)13-5-12-7-8(13)10-4-11-9(7)16/h4-6,14-15H,1-3H2,(H,10,11,16)/t6-/m1/s1