3-butyl-1-[(3-fluorophenyl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-1-[(3-fluorophenyl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-1-[(3-fluorophenyl)methyl]-8-(hydroxymethyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-1-[(3-fluorophenyl)methyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-1-[(3-fluorophenyl)methyl]-8-(hydroxymethyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-1-(3-fluorobenzyl)-8-methylol-7-propyl-xanthine Formula: C20H25FN4O3 MolecularWeight: 388.435903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)F)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC(=CC=C3)F)N(C(=N2)CO)CCC

InChI

InChI=1S/C20H25FN4O3/c1-3-5-10-24-18-17(23(9-4-2)16(13-26)22-18)19(27)25(20(24)28)12-14-7-6-8-15(21)11-14/h6-8,11,26H,3-5,9-10,12-13H2,1-2H3