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

Systemtic Name: 3-hexyl-1,7-dimethyl-purine-2,6-dione Openeye Name: 3-hexyl-1,7-dimethyl-purine-2,6-dione CAS Name: 3-hexyl-1,7-dimethylpurine-2,6-dione IUPAC Name: 3-hexyl-1,7-dimethylpurine-2,6-dione Traditional Name: 3-hexyl-1,7-dimethyl-xanthine Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C

Isomeric SMILES

CCCCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)C

InChI

InChI=1S/C13H20N4O2/c1-4-5-6-7-8-17-11-10(15(2)9-14-11)12(18)16(3)13(17)19/h9H,4-8H2,1-3H3