1-[(2-fluorophenyl)methyl]-8-(hexylamino)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(2-fluorophenyl)methyl]-8-(hexylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(2-fluorophenyl)methyl]-8-(hexylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2-fluorophenyl)methyl]-8-(hexylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2-fluorophenyl)methyl]-8-(hexylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-fluorobenzyl)-8-(hexylamino)-3,7-dimethyl-xanthine Formula: C20H26FN5O2 MolecularWeight: 387.451143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3F

Isomeric SMILES

CCCCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3F

InChI

InChI=1S/C20H26FN5O2/c1-4-5-6-9-12-22-19-23-17-16(24(19)2)18(27)26(20(28)25(17)3)13-14-10-7-8-11-15(14)21/h7-8,10-11H,4-6,9,12-13H2,1-3H3,(H,22,23)