2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-3H-purin-6-one; 6-azanyl-5-fluoranyl-1H-pyrimidin-2-one

Systemtic Name: 2-azanyl-9-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-3H-purin-6-one; 6-azanyl-5-fluoranyl-1H-pyrimidin-2-one Openeye Name: 6-amino-5-fluoro-1H-pyrimidin-2-one; 2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one; 6-amino-5-fluoro-1H-pyrimidin-2-one IUPAC Name: 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-3H-purin-6-one; 6-amino-5-fluoro-1H-pyrimidin-2-one Traditional Name: 6-amino-5-fluoro-1H-pyrimidin-2-one; 2-amino-9-[(2-hydroxy-1-methylol-ethoxy)methyl]-3H-purin-6-one Formula: C13H17FN8O5 MolecularWeight: 384.323083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)NC(=C1F)N.C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

Isomeric SMILES

C1=NC(=O)NC(=C1F)N.C1=NC2=C(N1COC(CO)CO)NC(=NC2=O)N

InChI

InChI=1S/C9H13N5O4.C4H4FN3O/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16;5-2-1-7-4(9)8-3(2)6/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17);1H,(H3,6,7,8,9)