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

Systemtic Name: 3-methyl-7-(5-methyl-5-oxidanyl-hept-6-ynyl)purine-2,6-dione Openeye Name: 7-(5-hydroxy-5-methyl-hept-6-ynyl)-3-methyl-purine-2,6-dione CAS Name: 7-(5-hydroxy-5-methylhept-6-ynyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(5-hydroxy-5-methylhept-6-ynyl)-3-methylpurine-2,6-dione Traditional Name: 7-(5-hydroxy-5-methyl-hept-6-ynyl)-3-methyl-xanthine Formula: C14H18N4O3 MolecularWeight: 290.31772

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C=NC2=C1C(=O)NC(=O)N2C)(C#C)O

Isomeric SMILES

CC(CCCCN1C=NC2=C1C(=O)NC(=O)N2C)(C#C)O

InChI

InChI=1S/C14H18N4O3/c1-4-14(2,21)7-5-6-8-18-9-15-11-10(18)12(19)16-13(20)17(11)3/h1,9,21H,5-8H2,2-3H3,(H,16,19,20)