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

Systemtic Name: 7-[5,6-bis(oxidanyl)hexyl]-3-ethyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-7-(5,6-dihydroxyhexyl)-3-ethyl-purine-2,6-dione CAS Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-7-(5,6-dihydroxyhexyl)-3-ethyl-xanthine Formula: C16H24N4O4 MolecularWeight: 336.38616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4/c1-3-8-20-15(23)13-14(19(4-2)16(20)24)17-11-18(13)9-6-5-7-12(22)10-21/h3,11-12,21-22H,1,4-10H2,2H3