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

Systemtic Name: 3-butyl-8-[[(2,3-dimethylphenyl)amino]methyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(2,3-dimethylanilino)methyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[(2,3-dimethylanilino)methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(2,3-dimethylanilino)methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[(2,3-dimethylanilino)methyl]-7-ethyl-xanthine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2/c1-5-7-11-25-18-17(19(26)23-20(25)27)24(6-2)16(22-18)12-21-15-10-8-9-13(3)14(15)4/h8-10,21H,5-7,11-12H2,1-4H3,(H,23,26,27)