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

Systemtic Name: 3-butyl-7-ethyl-8-[[(4-fluorophenyl)methyl-methyl-amino]methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[[(4-fluorophenyl)methyl-methyl-amino]methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[(4-fluorophenyl)methyl-methylamino]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[[(4-fluorophenyl)methyl-methylamino]methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[(4-fluorobenzyl)-methyl-amino]methyl]xanthine Formula: C20H26FN5O2 MolecularWeight: 387.451143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC3=CC=C(C=C3)F)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC3=CC=C(C=C3)F)CC

InChI

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