1-[8-(diethylamino)-5-oxidanyl-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione hydrochloride

Systemtic Name: 1-[8-(diethylamino)-5-oxidanyl-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione hydrochloride Openeye Name: 1-[8-(diethylamino)-5-hydroxy-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione hydrochloride CAS Name: 1-[8-(diethylamino)-5-hydroxyoct-6-ynyl]-3-methyl-7-propylpurine-2,6-dione hydrochloride IUPAC Name: 1-[8-(diethylamino)-5-hydroxyoct-6-ynyl]-3-methyl-7-propylpurine-2,6-dione hydrochloride Traditional Name: 1-[8-(diethylamino)-5-hydroxy-oct-6-ynyl]-3-methyl-7-propyl-xanthine hydrochloride Formula: C21H34ClN5O3 MolecularWeight: 439.97936

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C#CCN(CC)CC)O.Cl

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C#CCN(CC)CC)O.Cl

InChI

InChI=1S/C21H33N5O3.ClH/c1-5-13-25-16-22-19-18(25)20(28)26(21(29)23(19)4)15-9-8-11-17(27)12-10-14-24(6-2)7-3;/h16-17,27H,5-9,11,13-15H2,1-4H3;1H