8-bromanyl-3-methyl-7-[(2E)-2-[(2-methylphenyl)hydrazinylidene]ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-[(2E)-2-[(2-methylphenyl)hydrazinylidene]ethyl]purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-[(2E)-2-(o-tolylhydrazono)ethyl]purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-[(2E)-2-[(2-methylphenyl)hydrazinylidene]ethyl]purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-[(2E)-2-[(2-methylphenyl)hydrazinylidene]ethyl]purine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-[(2E)-2-(o-tolylhydrazono)ethyl]xanthine Formula: C15H15BrN6O2 MolecularWeight: 391.2226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NN=CCN2C3=C(N=C2Br)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=CC=C1N/N=C/CN2C3=C(N=C2Br)N(C(=O)NC3=O)C

InChI

InChI=1S/C15H15BrN6O2/c1-9-5-3-4-6-10(9)20-17-7-8-22-11-12(18-14(22)16)21(2)15(24)19-13(11)23/h3-7,20H,8H2,1-2H3,(H,19,23,24)/b17-7+