3-butyl-8-(3-fluorophenyl)-7-pentyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(3-fluorophenyl)-7-pentyl-purine-2,6-dione Openeye Name: 3-butyl-8-(3-fluorophenyl)-7-pentyl-purine-2,6-dione CAS Name: 3-butyl-8-(3-fluorophenyl)-7-pentylpurine-2,6-dione IUPAC Name: 3-butyl-8-(3-fluorophenyl)-7-pentylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-(3-fluorophenyl)xanthine Formula: C20H25FN4O2 MolecularWeight: 372.436503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1C3=CC(=CC=C3)F)N(C(=O)NC2=O)CCCC

Isomeric SMILES

CCCCCN1C2=C(N=C1C3=CC(=CC=C3)F)N(C(=O)NC2=O)CCCC

InChI

InChI=1S/C20H25FN4O2/c1-3-5-7-12-24-16-18(22-17(24)14-9-8-10-15(21)13-14)25(11-6-4-2)20(27)23-19(16)26/h8-10,13H,3-7,11-12H2,1-2H3,(H,23,26,27)