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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCCC(C)(C)O)N(C=N2)CC=C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCCC(C)(C)O)N(C=N2)CC=C

InChI

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