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

Systemtic Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylamino)purine-2,6-dione Openeye Name: 8-(isobutylamino)-3-methyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-[(4-methylphenyl)methyl]-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 8-(isobutylamino)-3-methyl-7-(4-methylbenzyl)xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NCC(C)C)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NCC(C)C)N(C(=O)NC3=O)C

InChI

InChI=1S/C18H23N5O2/c1-11(2)9-19-17-20-15-14(16(24)21-18(25)22(15)4)23(17)10-13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3,(H,19,20)(H,21,24,25)