7-[(4-fluorophenyl)methyl]-3-methyl-8-nitro-purine-2,6-dione

Systemtic Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-nitro-purine-2,6-dione Openeye Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-nitro-purine-2,6-dione CAS Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-nitropurine-2,6-dione IUPAC Name: 7-[(4-fluorophenyl)methyl]-3-methyl-8-nitropurine-2,6-dione Traditional Name: 7-(4-fluorobenzyl)-3-methyl-8-nitro-xanthine Formula: C13H10FN5O4 MolecularWeight: 319.248003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)[N+](=O)[O-])CC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)[N+](=O)[O-])CC3=CC=C(C=C3)F

InChI

InChI=1S/C13H10FN5O4/c1-17-10-9(11(20)16-13(17)21)18(12(15-10)19(22)23)6-7-2-4-8(14)5-3-7/h2-5H,6H2,1H3,(H,16,20,21)