2-azanyl-1-cyclopentyl-3-fluoranyl-3-(hydroxymethyl)-4-oxidanyl-5,9-dihydro-2H-purin-3-ium-6-one

Systemtic Name: 2-azanyl-1-cyclopentyl-3-fluoranyl-3-(hydroxymethyl)-4-oxidanyl-5,9-dihydro-2H-purin-3-ium-6-one Openeye Name: 2-amino-1-cyclopentyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)-5,9-dihydro-2H-purin-3-ium-6-one CAS Name: 2-amino-1-cyclopentyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)-5,9-dihydro-2H-purin-3-ium-6-one IUPAC Name: 2-amino-1-cyclopentyl-3-fluoro-4-hydroxy-3-(hydroxymethyl)-5,9-dihydro-2H-purin-3-ium-6-one Traditional Name: 2-amino-1-cyclopentyl-3-fluoro-4-hydroxy-3-methylol-5,9-dihydro-2H-purin-3-ium-6-one Formula: C11H19FN5O3+ MolecularWeight: 288.298663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C([N+](C3(C(C2=O)N=CN3)O)(CO)F)N

Isomeric SMILES

C1CCC(C1)N2C([N+](C3(C(C2=O)N=CN3)O)(CO)F)N

InChI

InChI=1S/C11H19FN5O3/c12-17(6-18)10(13)16(7-3-1-2-4-7)9(19)8-11(17,20)15-5-14-8/h5,7-8,10,18,20H,1-4,6,13H2,(H,14,15)/q+1