3-butyl-8-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[(homoveratrylamino)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)CNCCC3=CC(=C(C=C3)OC)OC)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNCCC3=CC(=C(C=C3)OC)OC)CCC

InChI

InChI=1S/C23H33N5O4/c1-5-7-13-28-21-20(22(29)26-23(28)30)27(12-6-2)19(25-21)15-24-11-10-16-8-9-17(31-3)18(14-16)32-4/h8-9,14,24H,5-7,10-13,15H2,1-4H3,(H,26,29,30)