7-[2-(benzotriazol-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-(benzotriazol-1-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-(benzotriazol-1-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1-benzotriazolyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(benzotriazol-1-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(benzotriazol-1-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C15H13N7O3 MolecularWeight: 339.30882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C15H13N7O3/c1-19-13-12(14(24)20(2)15(19)25)21(8-16-13)7-11(23)22-10-6-4-3-5-9(10)17-18-22/h3-6,8H,7H2,1-2H3