2-azanyl-9-[(1-fluoranyl-3-oxidanyl-propan-2-yl)oxymethyl]-4,5-dihydro-1H-purin-6-one

Systemtic Name: 2-azanyl-9-[(1-fluoranyl-3-oxidanyl-propan-2-yl)oxymethyl]-4,5-dihydro-1H-purin-6-one Openeye Name: 2-amino-9-[[1-(fluoranylmethyl)-2-hydroxy-ethoxy]methyl]-4,5-dihydro-1H-purin-6-one CAS Name: 2-amino-9-[(1-fluoranyl-3-hydroxypropan-2-yl)oxymethyl]-4,5-dihydro-1H-purin-6-one IUPAC Name: 2-amino-9-[(1-fluoranyl-3-hydroxypropan-2-yl)oxymethyl]-4,5-dihydro-1H-purin-6-one Traditional Name: 2-amino-9-[[1-(fluoranylmethyl)-2-hydroxy-ethoxy]methyl]-4,5-dihydro-1H-purin-6-one Formula: C9H14FN5O3 MolecularWeight: 258.240098

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2C(N1COC(CO)CF)N=C(NC2=O)N

Isomeric SMILES

C1=NC2C(N1COC(CO)C[18F])N=C(NC2=O)N

InChI

InChI=1S/C9H14FN5O3/c10-1-5(2-16)18-4-15-3-12-6-7(15)13-9(11)14-8(6)17/h3,5-7,16H,1-2,4H2,(H3,11,13,14,17)/i10-1