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

Systemtic Name: 3-butyl-8-(2-fluorophenyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-butyl-8-(2-fluorophenyl)purine-2,6-dione CAS Name: 3-butyl-8-(2-fluorophenyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-butyl-8-(2-fluorophenyl)purine-2,6-dione Traditional Name: 7-benzyl-3-butyl-8-(2-fluorophenyl)xanthine Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3F)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3F)CC4=CC=CC=C4

InChI

InChI=1S/C22H21FN4O2/c1-2-3-13-26-20-18(21(28)25-22(26)29)27(14-15-9-5-4-6-10-15)19(24-20)16-11-7-8-12-17(16)23/h4-12H,2-3,13-14H2,1H3,(H,25,28,29)