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

Systemtic Name: 7-but-3-enyl-1-hexyl-3-methyl-purine-2,6-dione Openeye Name: 7-but-3-enyl-1-hexyl-3-methyl-purine-2,6-dione CAS Name: 7-but-3-enyl-1-hexyl-3-methylpurine-2,6-dione IUPAC Name: 7-but-3-enyl-1-hexyl-3-methylpurine-2,6-dione Traditional Name: 7-but-3-enyl-1-hexyl-3-methyl-xanthine Formula: C16H24N4O2 MolecularWeight: 304.38736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2CCC=C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2CCC=C)N(C1=O)C

InChI

InChI=1S/C16H24N4O2/c1-4-6-8-9-11-20-15(21)13-14(18(3)16(20)22)17-12-19(13)10-7-5-2/h5,12H,2,4,6-11H2,1,3H3