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

Systemtic Name: 7-hex-5-enyl-3-methyl-purine-2,6-dione Openeye Name: 7-hex-5-enyl-3-methyl-purine-2,6-dione CAS Name: 7-hex-5-enyl-3-methylpurine-2,6-dione IUPAC Name: 7-hex-5-enyl-3-methylpurine-2,6-dione Traditional Name: 7-hex-5-enyl-3-methyl-xanthine Formula: C12H16N4O2 MolecularWeight: 248.28104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCCC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCCC=C

InChI

InChI=1S/C12H16N4O2/c1-3-4-5-6-7-16-8-13-10-9(16)11(17)14-12(18)15(10)2/h3,8H,1,4-7H2,2H3,(H,14,17,18)