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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C

InChI

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