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

Systemtic Name: 8-hexyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-hexyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-hexyl-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-hexyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-hexyl-1,3,7-trimethyl-xanthine Formula: C14H22N4O2 MolecularWeight: 278.35008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H22N4O2/c1-5-6-7-8-9-10-15-12-11(16(10)2)13(19)18(4)14(20)17(12)3/h5-9H2,1-4H3