1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,7-dimethyl-xanthine Formula: C17H24N4O2 MolecularWeight: 316.39806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCN1C(=O)C2=C(N=CN2C)N(C1=O)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CN1C(=O)C2=C(N=CN2C)N(C1=O)C)/C)C

InChI

InChI=1S/C17H24N4O2/c1-12(2)7-6-8-13(3)9-10-21-16(22)14-15(18-11-19(14)4)20(5)17(21)23/h7,9,11H,6,8,10H2,1-5H3/b13-9+