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

Systemtic Name: 1-hex-5-enyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-hex-5-enyl-3,7-dimethyl-purine-2,6-dione CAS Name: 1-hex-5-enyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-hex-5-enyl-3,7-dimethylpurine-2,6-dione Traditional Name: 1-hex-5-enyl-3,7-dimethyl-xanthine Formula: C13H18N4O2 MolecularWeight: 262.30762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC=C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC=C

InChI

InChI=1S/C13H18N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h4,9H,1,5-8H2,2-3H3