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

Systemtic Name: 3-hex-5-enyl-7-hexyl-1-propyl-purine-2,6-dione Openeye Name: 3-hex-5-enyl-7-hexyl-1-propyl-purine-2,6-dione CAS Name: 3-hex-5-enyl-7-hexyl-1-propylpurine-2,6-dione IUPAC Name: 3-hex-5-enyl-7-hexyl-1-propylpurine-2,6-dione Traditional Name: 3-hex-5-enyl-7-hexyl-1-propyl-xanthine Formula: C20H32N4O2 MolecularWeight: 360.49368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCCC=C)CCC

Isomeric SMILES

CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCCC=C)CCC

InChI

InChI=1S/C20H32N4O2/c1-4-7-9-11-14-22-16-21-18-17(22)19(25)24(13-6-3)20(26)23(18)15-12-10-8-5-2/h5,16H,2,4,6-15H2,1,3H3