1-ethanoyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-ethanoyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-acetyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-acetyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-acetyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-acetyl-3,7-dimethyl-xanthine Formula: C9H10N4O3 MolecularWeight: 222.2007

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(=O)N1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C9H10N4O3/c1-5(14)13-8(15)6-7(10-4-11(6)2)12(3)9(13)16/h4H,1-3H3