7-(ethoxymethyl)-3-methyl-1-(5-methyl-5-oxidanyl-hept-6-ynyl)purine-2,6-dione

Systemtic Name: 7-(ethoxymethyl)-3-methyl-1-(5-methyl-5-oxidanyl-hept-6-ynyl)purine-2,6-dione Openeye Name: 7-(ethoxymethyl)-1-(5-hydroxy-5-methyl-hept-6-ynyl)-3-methyl-purine-2,6-dione CAS Name: 7-(ethoxymethyl)-1-(5-hydroxy-5-methylhept-6-ynyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(ethoxymethyl)-1-(5-hydroxy-5-methylhept-6-ynyl)-3-methylpurine-2,6-dione Traditional Name: 7-(ethoxymethyl)-1-(5-hydroxy-5-methyl-hept-6-ynyl)-3-methyl-xanthine Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#C)O

Isomeric SMILES

CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#C)O

InChI

InChI=1S/C17H24N4O4/c1-5-17(3,24)9-7-8-10-21-15(22)13-14(19(4)16(21)23)18-11-20(13)12-25-6-2/h1,11,24H,6-10,12H2,2-4H3