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

Systemtic Name: 3-butyl-8-[[(2,3-dimethoxyphenyl)methyl-methyl-amino]methyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[(2,3-dimethoxyphenyl)methyl-methyl-amino]methyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[(2,3-dimethoxyphenyl)methyl-methylamino]methyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[[methyl(o-veratryl)amino]methyl]-7-propyl-xanthine Formula: C23H33N5O4 MolecularWeight: 443.53922

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O4/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/h9-11H,6-8,12-15H2,1-5H3,(H,25,29,30)