1,3-dimethyl-8-(phenylazanylhydrazinylidene)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(phenylazanylhydrazinylidene)purine-2,6-dione Openeye Name: 8-(anilinohydrazono)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(anilinohydrazinylidene)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(anilinohydrazinylidene)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(anilinohydrazono)-1,3-dimethyl-xanthine Formula: C13H13N7O2 MolecularWeight: 299.28802

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NNNC3=CC=CC=C3)N=C2C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=NC(=NNNC3=CC=CC=C3)N=C2C(=O)N(C1=O)C

InChI

InChI=1S/C13H13N7O2/c1-19-10-9(11(21)20(2)13(19)22)14-12(15-10)17-18-16-8-6-4-3-5-7-8/h3-7,16,18H,1-2H3