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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=C(C=C3)F)N(C1=O)CCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)CC3=CC=C(C=C3)F)N(C1=O)CCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22FN5O4/c1-2-12-28-22(30)20-21(26-19(25-20)14-16-3-7-17(24)8-4-16)27(23(28)31)13-11-15-5-9-18(10-6-15)29(32)33/h3-10H,2,11-14H2,1H3,(H,25,26)