1-hexyl-3-methyl-7-pent-4-enyl-purine-2,6-dione

Systemtic Name: 1-hexyl-3-methyl-7-pent-4-enyl-purine-2,6-dione Openeye Name: 1-hexyl-3-methyl-7-pent-4-enyl-purine-2,6-dione CAS Name: 1-hexyl-3-methyl-7-pent-4-enylpurine-2,6-dione IUPAC Name: 1-hexyl-3-methyl-7-pent-4-enylpurine-2,6-dione Traditional Name: 1-hexyl-3-methyl-7-pent-4-enyl-xanthine Formula: C17H26N4O2 MolecularWeight: 318.41394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2CCCC=C)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2CCCC=C)N(C1=O)C

InChI

InChI=1S/C17H26N4O2/c1-4-6-8-10-12-21-16(22)14-15(19(3)17(21)23)18-13-20(14)11-9-7-5-2/h5,13H,2,4,6-12H2,1,3H3