7-but-3-enyl-3-methyl-1-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione

Systemtic Name: 7-but-3-enyl-3-methyl-1-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione Openeye Name: 7-but-3-enyl-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-purine-2,6-dione CAS Name: 7-but-3-enyl-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione IUPAC Name: 7-but-3-enyl-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione Traditional Name: 7-but-3-enyl-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-xanthine Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C(=O)C2=C(N=CN2CCC=C)N(C1=O)C)O

Isomeric SMILES

CC(C)(CCCCN1C(=O)C2=C(N=CN2CCC=C)N(C1=O)C)O

InChI

InChI=1S/C17H26N4O3/c1-5-6-10-20-12-18-14-13(20)15(22)21(16(23)19(14)4)11-8-7-9-17(2,3)24/h5,12,24H,1,6-11H2,2-4H3