7-butyl-1,3-dimethyl-8-[[(4-methylphenyl)amino]methyl]purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-[[(4-methylphenyl)amino]methyl]purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-[(4-methylanilino)methyl]purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[(4-methylanilino)methyl]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-[(4-methylanilino)methyl]purine-2,6-dione Traditional Name: 7-butyl-1,3-dimethyl-8-(p-toluidinomethyl)xanthine Formula: C19H25N5O2 MolecularWeight: 355.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CNC3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CNC3=CC=C(C=C3)C

InChI

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