3,7-dibutyl-8-[[(4-fluorophenyl)methyl-methyl-amino]methyl]purine-2,6-dione

Systemtic Name: 3,7-dibutyl-8-[[(4-fluorophenyl)methyl-methyl-amino]methyl]purine-2,6-dione Openeye Name: 3,7-dibutyl-8-[[(4-fluorophenyl)methyl-methyl-amino]methyl]purine-2,6-dione CAS Name: 3,7-dibutyl-8-[[(4-fluorophenyl)methyl-methylamino]methyl]purine-2,6-dione IUPAC Name: 3,7-dibutyl-8-[[(4-fluorophenyl)methyl-methylamino]methyl]purine-2,6-dione Traditional Name: 3,7-dibutyl-8-[[(4-fluorobenzyl)-methyl-amino]methyl]xanthine Formula: C22H30FN5O2 MolecularWeight: 415.504303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CN(C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CN(C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H30FN5O2/c1-4-6-12-27-18(15-26(3)14-16-8-10-17(23)11-9-16)24-20-19(27)21(29)25-22(30)28(20)13-7-5-2/h8-11H,4-7,12-15H2,1-3H3,(H,25,29,30)