3-methyl-1-(4-methyl-4-oxidanyl-hex-5-ynyl)-7-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-1-(4-methyl-4-oxidanyl-hex-5-ynyl)-7-propyl-purine-2,6-dione Openeye Name: 1-(4-hydroxy-4-methyl-hex-5-ynyl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-(4-hydroxy-4-methylhex-5-ynyl)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-(4-hydroxy-4-methylhex-5-ynyl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-(4-hydroxy-4-methyl-hex-5-ynyl)-3-methyl-7-propyl-xanthine Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(C)(C#C)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(C)(C#C)O

InChI

InChI=1S/C16H22N4O3/c1-5-9-19-11-17-13-12(19)14(21)20(15(22)18(13)4)10-7-8-16(3,23)6-2/h2,11,23H,5,7-10H2,1,3-4H3