3-butyl-8-[[1-(4-fluorophenyl)ethylamino]methyl]-7-(3-methylbutyl)purine-2,6-dione

Systemtic Name: 3-butyl-8-[[1-(4-fluorophenyl)ethylamino]methyl]-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 3-butyl-8-[[1-(4-fluorophenyl)ethylamino]methyl]-7-isopentyl-purine-2,6-dione CAS Name: 3-butyl-8-[[1-(4-fluorophenyl)ethylamino]methyl]-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 3-butyl-8-[[1-(4-fluorophenyl)ethylamino]methyl]-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-butyl-8-[[1-(4-fluorophenyl)ethylamino]methyl]-7-isoamyl-xanthine Formula: C23H32FN5O2 MolecularWeight: 429.530883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC(C)C3=CC=C(C=C3)F)CCC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC(C)C3=CC=C(C=C3)F)CCC(C)C

InChI

InChI=1S/C23H32FN5O2/c1-5-6-12-29-21-20(22(30)27-23(29)31)28(13-11-15(2)3)19(26-21)14-25-16(4)17-7-9-18(24)10-8-17/h7-10,15-16,25H,5-6,11-14H2,1-4H3,(H,27,30,31)