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2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-8-fluoranyl-3H-purin-6-one

2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-8-fluoranyl-3H-purin-6-one

Systemtic Name:2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-8-fluoranyl-3H-purin-6-one
Openeye Name:2-amino-8-fluoranyl-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3H-purin-6-one
CAS Name:2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-8-fluoranyl-3H-purin-6-one
IUPAC Name:2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-8-fluoranyl-3H-purin-6-one
Traditional Name:2-amino-8-fluoranyl-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-3H-purin-6-one
Formula: C9H12FN5O4
MolecularWeight: 272.223618
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Descriptors Computed from Structure

Canonical SMILES:

C(C(CO)OCN1C2=C(C(=O)N=C(N2)N)N=C1F)O


Isomeric SMILES

C(C(CO)OCN1C2=C(C(=O)N=C(N2)N)N=C1[18F])O


InChI

InChI=1S/C9H12FN5O4/c10-8-12-5-6(13-9(11)14-7(5)18)15(8)3-19-4(1-16)2-17/h4,16-17H,1-3H2,(H3,11,13,14,18)/i10-1


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