1,3-dimethyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-methylallyl)-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylphenyl)methylamino]-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(2-methylallyl)-8-[(4-methylbenzyl)amino]xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O2/c1-12(2)11-24-15-16(22(4)19(26)23(5)17(15)25)21-18(24)20-10-14-8-6-13(3)7-9-14/h6-9H,1,10-11H2,2-5H3,(H,20,21)