7-(benzotriazol-1-ylmethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-(benzotriazol-1-ylmethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(benzotriazol-1-ylmethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(1-benzotriazolylmethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(benzotriazol-1-ylmethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(benzotriazol-1-ylmethyl)-1,3-dimethyl-xanthine Formula: C14H13N7O2 MolecularWeight: 311.29872

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C14H13N7O2/c1-18-12-11(13(22)19(2)14(18)23)20(7-15-12)8-21-10-6-4-3-5-9(10)16-17-21/h3-7H,8H2,1-2H3