8-bromanyl-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-7-[2-oxo-2-(p-tolyl)ethyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 8-bromo-7-[2-keto-2-(p-tolyl)ethyl]-1,3-dimethyl-xanthine Formula: C16H15BrN4O3 MolecularWeight: 391.2193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O3/c1-9-4-6-10(7-5-9)11(22)8-21-12-13(18-15(21)17)19(2)16(24)20(3)14(12)23/h4-7H,8H2,1-3H3