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

Systemtic Name: 2-azanyl-9-[[1,1,1-tris(fluoranyl)-3-oxidanyl-propan-2-yl]oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-9-[[2,2,2-trifluoro-1-(hydroxymethyl)ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-9-[(1,1,1-trifluoro-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(1,1,1-trifluoro-3-hydroxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2,2,2-trifluoro-1-methylol-ethoxy)methyl]-3H-purin-6-one Formula: C9H10F3N5O3 MolecularWeight: 293.20261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10F3N5O3/c10-9(11,12)4(1-18)20-3-17-2-14-5-6(17)15-8(13)16-7(5)19/h2,4,18H,1,3H2,(H3,13,15,16,19)