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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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