1,9-dimethyl-3H-purine-2,6-dione

Systemtic Name: 1,9-dimethyl-3H-purine-2,6-dione Openeye Name: 1,9-dimethyl-3H-purine-2,6-dione CAS Name: 1,9-dimethyl-3H-purine-2,6-dione IUPAC Name: 1,9-dimethyl-3H-purine-2,6-dione Traditional Name: 1,9-dimethylxanthine Formula: C7H8N4O2 MolecularWeight: 180.16402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1NC(=O)N(C2=O)C

Isomeric SMILES

CN1C=NC2=C1NC(=O)N(C2=O)C

InChI

InChI=1S/C7H8N4O2/c1-10-3-8-4-5(10)9-7(13)11(2)6(4)12/h3H,1-2H3,(H,9,13)