9-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[(3-fluorophenyl)methyl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-(3-fluorobenzyl)-1,3-dimethyl-8-nitro-xanthine Formula: C14H12FN5O4 MolecularWeight: 333.274583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC(=CC=C3)F)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC(=CC=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C14H12FN5O4/c1-17-11-10(12(21)18(2)14(17)22)16-13(20(23)24)19(11)7-8-4-3-5-9(15)6-8/h3-6H,7H2,1-2H3