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

Systemtic Name: 2-azanyl-9-[[1-fluoranyl-2,4-bis(oxidanyl)butan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[1-(fluoromethyl)-1,3-dihydroxy-propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1-fluoro-2,4-dihydroxybutan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1-fluoro-2,4-dihydroxybutan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[[1-(fluoromethyl)-1,3-dihydroxy-propoxy]methyl]-3H-purin-6-one Formula: C10H14FN5O4 MolecularWeight: 287.247663

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COC(CCO)(CF)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COC(CCO)(CF)O)NC(=NC2=O)N

InChI

InChI=1S/C10H14FN5O4/c11-3-10(19,1-2-17)20-5-16-4-13-6-7(16)14-9(12)15-8(6)18/h4,17,19H,1-3,5H2,(H3,12,14,15,18)