3-butyl-7-ethyl-8-[[[3-(oxolan-2-ylmethoxy)phenyl]amino]methyl]purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-[[[3-(oxolan-2-ylmethoxy)phenyl]amino]methyl]purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-[[3-(tetrahydrofuran-2-ylmethoxy)anilino]methyl]purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-[[3-(2-oxolanylmethoxy)anilino]methyl]purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-[[3-(oxolan-2-ylmethoxy)anilino]methyl]purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-[[3-(tetrahydrofurfuryloxy)anilino]methyl]xanthine Formula: C23H31N5O4 MolecularWeight: 441.52334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC(=CC=C3)OCC4CCCO4)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC(=CC=C3)OCC4CCCO4)CC

InChI

InChI=1S/C23H31N5O4/c1-3-5-11-28-21-20(22(29)26-23(28)30)27(4-2)19(25-21)14-24-16-8-6-9-17(13-16)32-15-18-10-7-12-31-18/h6,8-9,13,18,24H,3-5,7,10-12,14-15H2,1-2H3,(H,26,29,30)