3,7-diethyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 3,7-diethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 3,7-diethyl-1-(5-hydroxyhexyl)purine-2,6-dione CAS Name: 3,7-diethyl-1-(5-hydroxyhexyl)purine-2,6-dione IUPAC Name: 3,7-diethyl-1-(5-hydroxyhexyl)purine-2,6-dione Traditional Name: 3,7-diethyl-1-(5-hydroxyhexyl)xanthine Formula: C15H24N4O3 MolecularWeight: 308.37606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCC(C)O

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCC(C)O

InChI

InChI=1S/C15H24N4O3/c1-4-17-10-16-13-12(17)14(21)19(15(22)18(13)5-2)9-7-6-8-11(3)20/h10-11,20H,4-9H2,1-3H3