9-[(4-fluorophenyl)methyl]-1,3-dimethyl-9-oxidanidyl-6-oxidanyl-6H-purino[7,8-a]pyrimidin-9-ium-2,4-dione

Systemtic Name: 9-[(4-fluorophenyl)methyl]-1,3-dimethyl-9-oxidanidyl-6-oxidanyl-6H-purino[7,8-a]pyrimidin-9-ium-2,4-dione Openeye Name: 9-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-dimethyl-9-oxido-6H-purino[7,8-a]pyrimidin-9-ium-2,4-dione CAS Name: 9-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-dimethyl-9-oxido-6H-purino[7,8-a]pyrimidin-9-ium-2,4-dione IUPAC Name: 9-[(4-fluorophenyl)methyl]-6-hydroxy-1,3-dimethyl-9-oxido-6H-purino[7,8-a]pyrimidin-9-ium-2,4-dione Traditional Name: 9-(4-fluorobenzyl)-6-hydroxy-1,3-dimethyl-9-oxido-6H-purino[7,8-a]pyrimidin-9-ium-2,4-quinone Formula: C17H16FN5O4 MolecularWeight: 373.338443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C(C=C[N+](C3=N2)(CC4=CC=C(C=C4)F)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C(C=C[N+](C3=N2)(CC4=CC=C(C=C4)F)[O-])O

InChI

InChI=1S/C17H16FN5O4/c1-20-14-13(15(25)21(2)17(20)26)22-12(24)7-8-23(27,16(22)19-14)9-10-3-5-11(18)6-4-10/h3-8,12,24H,9H2,1-2H3