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

Systemtic Name: 2-azanyl-9-[[4-fluoranyl-1,3-bis(oxidanyl)butan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[3-fluoro-2-hydroxy-1-(hydroxymethyl)propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(4-fluoro-1,3-dihydroxybutan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(3-fluoro-2-hydroxy-1-methylol-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(CO)C(CF)O)NC(=NC2=O)N

Isomeric SMILES

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

InChI

InChI=1S/C10H14FN5O4/c11-1-5(18)6(2-17)20-4-16-3-13-7-8(16)14-10(12)15-9(7)19/h3,5-6,17-18H,1-2,4H2,(H3,12,14,15,19)