7-butyl-8-[(5-fluoranyl-2-nitro-phenoxy)methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-8-[(5-fluoranyl-2-nitro-phenoxy)methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-[(5-fluoro-2-nitro-phenoxy)methyl]purine-2,6-dione CAS Name: 7-butyl-8-[(5-fluoro-2-nitrophenoxy)methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-[(5-fluoro-2-nitrophenoxy)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[(5-fluoro-2-nitro-phenoxy)methyl]xanthine Formula: C23H22FN5O5 MolecularWeight: 467.449683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)COC4=C(C=CC(=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H22FN5O5/c1-2-3-11-27-19(14-34-18-12-16(24)9-10-17(18)29(32)33)25-21-20(27)22(30)26-23(31)28(21)13-15-7-5-4-6-8-15/h4-10,12H,2-3,11,13-14H2,1H3,(H,26,30,31)