7-hex-5-enyl-1-hexyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-hex-5-enyl-1-hexyl-3-methyl-purine-2,6-dione Openeye Name: 7-hex-5-enyl-1-hexyl-3-methyl-purine-2,6-dione CAS Name: 7-hex-5-enyl-1-hexyl-3-methylpurine-2,6-dione IUPAC Name: 7-hex-5-enyl-1-hexyl-3-methylpurine-2,6-dione Traditional Name: 7-hex-5-enyl-1-hexyl-3-methyl-xanthine Formula: C18H28N4O2 MolecularWeight: 332.44052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2CCCCC=C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2CCCCC=C)N(C1=O)C

InChI

InChI=1S/C18H28N4O2/c1-4-6-8-10-12-21-14-19-16-15(21)17(23)22(18(24)20(16)3)13-11-9-7-5-2/h4,14H,1,5-13H2,2-3H3