3-butyl-8-[[(2,3-dimethoxyphenyl)methyl-methyl-amino]methyl]-7-propyl-purine-2,6-dione; ethanedioic acid

Systemtic Name: 3-butyl-8-[[(2,3-dimethoxyphenyl)methyl-methyl-amino]methyl]-7-propyl-purine-2,6-dione; ethanedioic acid Openeye Name: 3-butyl-8-[[(2,3-dimethoxyphenyl)methyl-methyl-amino]methyl]-7-propyl-purine-2,6-dione; oxalic acid CAS Name: 3-butyl-8-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-7-propylpurine-2,6-dione; oxalic acid IUPAC Name: 3-butyl-8-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-7-propylpurine-2,6-dione; oxalic acid Traditional Name: 3-butyl-8-[[methyl(o-veratryl)amino]methyl]-7-propyl-xanthine; oxalic acid Formula: C25H35N5O8 MolecularWeight: 533.5741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC3=C(C(=CC=C3)OC)OC)CCC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN(C)CC3=C(C(=CC=C3)OC)OC)CCC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H33N5O4.C2H2O4/c1-6-8-13-28-21-19(22(29)25-23(28)30)27(12-7-2)18(24-21)15-26(3)14-16-10-9-11-17(31-4)20(16)32-5;3-1(4)2(5)6/h9-11H,6-8,12-15H2,1-5H3,(H,25,29,30);(H,3,4)(H,5,6)