1-(4-fluorophenyl)-7-methyl-8-(phenylmethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 1-(4-fluorophenyl)-7-methyl-8-(phenylmethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-benzyl-1-(4-fluorophenyl)-7-methyl-3-propyl-purine-2,6-dione CAS Name: 1-(4-fluorophenyl)-7-methyl-8-(phenylmethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-benzyl-1-(4-fluorophenyl)-7-methyl-3-propylpurine-2,6-dione Traditional Name: 8-benzyl-1-(4-fluorophenyl)-7-methyl-3-propyl-xanthine Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C3=CC=C(C=C3)F)N(C(=N2)CC4=CC=CC=C4)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C3=CC=C(C=C3)F)N(C(=N2)CC4=CC=CC=C4)C

InChI

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