8-ethanoyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-ethanoyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-acetyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-acetyl-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-acetyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-acetyl-1,3,7-trimethyl-xanthine Formula: C10H12N4O3 MolecularWeight: 236.22728

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=O)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C10H12N4O3/c1-5(15)7-11-8-6(12(7)2)9(16)14(4)10(17)13(8)3/h1-4H3