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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-methylpropylamino)purine-2,6-dione Openeye Name: 8-(isobutylamino)-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 8-(isobutylamino)-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C19H25N5O2 MolecularWeight: 355.4341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC(C)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC(C)C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H25N5O2/c1-12(2)10-20-18-21-16-15(17(25)23(5)19(26)22(16)4)24(18)11-14-8-6-7-13(3)9-14/h6-9,12H,10-11H2,1-5H3,(H,20,21)