1,3-dimethyl-7-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]purine-2,6-dione Traditional Name: 7-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]-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)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3C(=O)C4=CC=CC=C4N=N3

InChI

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