3-methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 3-methyl-7-(2-methylallyl)-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 3-methyl-7-(2-methylallyl)-8-[(4-methylbenzyl)amino]xanthine Formula: C18H21N5O2 MolecularWeight: 339.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(=C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC(=C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C18H21N5O2/c1-11(2)10-23-14-15(22(4)18(25)21-16(14)24)20-17(23)19-9-13-7-5-12(3)6-8-13/h5-8H,1,9-10H2,2-4H3,(H,19,20)(H,21,24,25)