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

Systemtic Name: 8-bromanyl-3,7-dimethyl-1-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-bromo-3,7-dimethyl-1-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-bromo-3,7-dimethyl-1-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-3,7-dimethyl-1-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-bromo-3,7-dimethyl-1-(2-methylbenzyl)xanthine Formula: C15H15BrN4O2 MolecularWeight: 363.2092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)C3=C(N=C(N3C)Br)N(C2=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)C3=C(N=C(N3C)Br)N(C2=O)C

InChI

InChI=1S/C15H15BrN4O2/c1-9-6-4-5-7-10(9)8-20-13(21)11-12(19(3)15(20)22)17-14(16)18(11)2/h4-7H,8H2,1-3H3