3-butyl-1-[(2-fluorophenyl)methyl]-8-[(4-nitrophenyl)methyl]-7H-purine-2,6-dione

Systemtic Name: 3-butyl-1-[(2-fluorophenyl)methyl]-8-[(4-nitrophenyl)methyl]-7H-purine-2,6-dione Openeye Name: 3-butyl-1-[(2-fluorophenyl)methyl]-8-[(4-nitrophenyl)methyl]-7H-purine-2,6-dione CAS Name: 3-butyl-1-[(2-fluorophenyl)methyl]-8-[(4-nitrophenyl)methyl]-7H-purine-2,6-dione IUPAC Name: 3-butyl-1-[(2-fluorophenyl)methyl]-8-[(4-nitrophenyl)methyl]-7H-purine-2,6-dione Traditional Name: 3-butyl-1-(2-fluorobenzyl)-8-(4-nitrobenzyl)-7H-purine-2,6-quinone Formula: C23H22FN5O4 MolecularWeight: 451.450283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)NC(=N2)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)NC(=N2)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22FN5O4/c1-2-3-12-27-21-20(22(30)28(23(27)31)14-16-6-4-5-7-18(16)24)25-19(26-21)13-15-8-10-17(11-9-15)29(32)33/h4-11H,2-3,12-14H2,1H3,(H,25,26)