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

Systemtic Name: 3-butyl-8-[[(2,3-dimethylphenyl)amino]methyl]-7-(3-methylbutyl)purine-2,6-dione Openeye Name: 3-butyl-8-[(2,3-dimethylanilino)methyl]-7-isopentyl-purine-2,6-dione CAS Name: 3-butyl-8-[(2,3-dimethylanilino)methyl]-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 3-butyl-8-[(2,3-dimethylanilino)methyl]-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 3-butyl-8-[(2,3-dimethylanilino)methyl]-7-isoamyl-xanthine Formula: C23H33N5O2 MolecularWeight: 411.54042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC(=C3C)C)CCC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC(=C3C)C)CCC(C)C

InChI

InChI=1S/C23H33N5O2/c1-6-7-12-28-21-20(22(29)26-23(28)30)27(13-11-15(2)3)19(25-21)14-24-18-10-8-9-16(4)17(18)5/h8-10,15,24H,6-7,11-14H2,1-5H3,(H,26,29,30)