8-ethyl-1,3,8-trimethyl-purine-2,6-dione

Systemtic Name: 8-ethyl-1,3,8-trimethyl-purine-2,6-dione Openeye Name: 8-ethyl-1,3,8-trimethyl-purine-2,6-dione CAS Name: 8-ethyl-1,3,8-trimethylpurine-2,6-dione IUPAC Name: 8-ethyl-1,3,8-trimethylpurine-2,6-dione Traditional Name: 8-ethyl-1,3,8-trimethyl-xanthine Formula: C10H14N4O2 MolecularWeight: 222.24376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(N=C2C(=N1)N(C(=O)N(C2=O)C)C)C

Isomeric SMILES

CCC1(N=C2C(=N1)N(C(=O)N(C2=O)C)C)C

InChI

InChI=1S/C10H14N4O2/c1-5-10(2)11-6-7(12-10)13(3)9(16)14(4)8(6)15/h5H2,1-4H3