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

Systemtic Name: 3-butyl-8-[[(2,3-dimethylphenyl)amino]methyl]-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(2,3-dimethylanilino)methyl]-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-[(2,3-dimethylanilino)methyl]-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(2,3-dimethylanilino)methyl]-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-[(2,3-dimethylanilino)methyl]-7-methyl-xanthine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2/c1-5-6-10-24-17-16(18(25)22-19(24)26)23(4)15(21-17)11-20-14-9-7-8-12(2)13(14)3/h7-9,20H,5-6,10-11H2,1-4H3,(H,22,25,26)