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

Systemtic Name: 3-methyl-7-(5-methyl-5-oxidanyl-hept-6-ynyl)-1-propyl-purine-2,6-dione Openeye Name: 7-(5-hydroxy-5-methyl-hept-6-ynyl)-3-methyl-1-propyl-purine-2,6-dione CAS Name: 7-(5-hydroxy-5-methylhept-6-ynyl)-3-methyl-1-propylpurine-2,6-dione IUPAC Name: 7-(5-hydroxy-5-methylhept-6-ynyl)-3-methyl-1-propylpurine-2,6-dione Traditional Name: 7-(5-hydroxy-5-methyl-hept-6-ynyl)-3-methyl-1-propyl-xanthine Formula: C17H24N4O3 MolecularWeight: 332.39746

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CCCCC(C)(C#C)O)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CCCCC(C)(C#C)O)N(C1=O)C

InChI

InChI=1S/C17H24N4O3/c1-5-10-21-15(22)13-14(19(4)16(21)23)18-12-20(13)11-8-7-9-17(3,24)6-2/h2,12,24H,5,7-11H2,1,3-4H3