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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC=C

Isomeric SMILES

CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC=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/h5,14H,2,4,6-13H2,1,3H3