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

Systemtic Name: 7-[8-(diethylamino)-5-methyl-5-oxidanyl-oct-6-ynyl]-3-methyl-1-propyl-purine-2,6-dione hydrochloride Openeye Name: 7-[8-(diethylamino)-5-hydroxy-5-methyl-oct-6-ynyl]-3-methyl-1-propyl-purine-2,6-dione hydrochloride CAS Name: 7-[8-(diethylamino)-5-hydroxy-5-methyloct-6-ynyl]-3-methyl-1-propylpurine-2,6-dione hydrochloride IUPAC Name: 7-[8-(diethylamino)-5-hydroxy-5-methyloct-6-ynyl]-3-methyl-1-propylpurine-2,6-dione hydrochloride Traditional Name: 7-[8-(diethylamino)-5-hydroxy-5-methyl-oct-6-ynyl]-3-methyl-1-propyl-xanthine hydrochloride Formula: C22H36ClN5O3 MolecularWeight: 454.00594

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CCCCC(C)(C#CCN(CC)CC)O)N(C1=O)C.Cl

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CCCCC(C)(C#CCN(CC)CC)O)N(C1=O)C.Cl

InChI

InChI=1S/C22H35N5O3.ClH/c1-6-14-27-20(28)18-19(24(5)21(27)29)23-17-26(18)16-10-9-12-22(4,30)13-11-15-25(7-2)8-3;/h17,30H,6-10,12,14-16H2,1-5H3;1H