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

Systemtic Name: 8-bromanyl-3-methyl-7-[(2E)-2-(phenylhydrazinylidene)ethyl]purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-[(2E)-2-(phenylhydrazono)ethyl]purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-[(2E)-2-(phenylhydrazinylidene)ethyl]purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-[(2E)-2-(phenylhydrazinylidene)ethyl]purine-2,6-dione Traditional Name: 8-bromo-3-methyl-7-[(2E)-2-(phenylhydrazono)ethyl]xanthine Formula: C14H13BrN6O2 MolecularWeight: 377.19602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC=NNC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)C/C=N/NC3=CC=CC=C3

InChI

InChI=1S/C14H13BrN6O2/c1-20-11-10(12(22)18-14(20)23)21(13(15)17-11)8-7-16-19-9-5-3-2-4-6-9/h2-7,19H,8H2,1H3,(H,18,22,23)/b16-7+