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

Systemtic Name: 7-hex-5-enyl-3-methyl-1-pentyl-purine-2,6-dione Openeye Name: 7-hex-5-enyl-3-methyl-1-pentyl-purine-2,6-dione CAS Name: 7-hex-5-enyl-3-methyl-1-pentylpurine-2,6-dione IUPAC Name: 7-hex-5-enyl-3-methyl-1-pentylpurine-2,6-dione Traditional Name: 1-amyl-7-hex-5-enyl-3-methyl-xanthine Formula: C17H26N4O2 MolecularWeight: 318.41394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=CN2CCCCC=C)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=CN2CCCCC=C)N(C1=O)C

InChI

InChI=1S/C17H26N4O2/c1-4-6-8-10-11-20-13-18-15-14(20)16(22)21(12-9-7-5-2)17(23)19(15)3/h4,13H,1,5-12H2,2-3H3