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

Systemtic Name: 8-[azanyl(phenyl)methyl]-3-butyl-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione Openeye Name: 8-[amino(phenyl)methyl]-3-butyl-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione CAS Name: 8-[amino(phenyl)methyl]-3-butyl-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione IUPAC Name: 8-[amino(phenyl)methyl]-3-butyl-1-[(2-fluorophenyl)methyl]-7H-purine-2,6-dione Traditional Name: 8-[amino(phenyl)methyl]-3-butyl-1-(2-fluorobenzyl)-7H-purine-2,6-quinone Formula: C23H24FN5O2 MolecularWeight: 421.467363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)NC(=N2)C(C4=CC=CC=C4)N

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3F)NC(=N2)C(C4=CC=CC=C4)N

InChI

InChI=1S/C23H24FN5O2/c1-2-3-13-28-21-19(26-20(27-21)18(25)15-9-5-4-6-10-15)22(30)29(23(28)31)14-16-11-7-8-12-17(16)24/h4-12,18H,2-3,13-14,25H2,1H3,(H,26,27)