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

Systemtic Name: 1-ethyl-7-hex-5-enyl-3-methyl-purine-2,6-dione Openeye Name: 1-ethyl-7-hex-5-enyl-3-methyl-purine-2,6-dione CAS Name: 1-ethyl-7-hex-5-enyl-3-methylpurine-2,6-dione IUPAC Name: 1-ethyl-7-hex-5-enyl-3-methylpurine-2,6-dione Traditional Name: 1-ethyl-7-hex-5-enyl-3-methyl-xanthine Formula: C14H20N4O2 MolecularWeight: 276.3342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=CN2CCCCC=C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=CN2CCCCC=C)N(C1=O)C

InChI

InChI=1S/C14H20N4O2/c1-4-6-7-8-9-17-10-15-12-11(17)13(19)18(5-2)14(20)16(12)3/h4,10H,1,5-9H2,2-3H3