1-[(2-fluorophenyl)methyl]-3-(2-nitrophenyl)-7H-purine-2,6-dione

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3-(2-nitrophenyl)-7H-purine-2,6-dione Openeye Name: 1-[(2-fluorophenyl)methyl]-3-(2-nitrophenyl)-7H-purine-2,6-dione CAS Name: 1-[(2-fluorophenyl)methyl]-3-(2-nitrophenyl)-7H-purine-2,6-dione IUPAC Name: 1-[(2-fluorophenyl)methyl]-3-(2-nitrophenyl)-7H-purine-2,6-dione Traditional Name: 1-(2-fluorobenzyl)-3-(2-nitrophenyl)-7H-purine-2,6-quinone Formula: C18H12FN5O4 MolecularWeight: 381.317383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4[N+](=O)[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4[N+](=O)[O-])F

InChI

InChI=1S/C18H12FN5O4/c19-12-6-2-1-5-11(12)9-22-17(25)15-16(21-10-20-15)23(18(22)26)13-7-3-4-8-14(13)24(27)28/h1-8,10H,9H2,(H,20,21)