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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCC=C)N(C=N2)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCC=C)N(C=N2)C

InChI

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