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

Systemtic Name: 3-cyclopropyl-1-[8-(diethylamino)-5-methyl-5-oxidanyl-oct-6-ynyl]-7-propyl-purine-2,6-dione hydrochloride Openeye Name: 3-cyclopropyl-1-[8-(diethylamino)-5-hydroxy-5-methyl-oct-6-ynyl]-7-propyl-purine-2,6-dione hydrochloride CAS Name: 3-cyclopropyl-1-[8-(diethylamino)-5-hydroxy-5-methyloct-6-ynyl]-7-propylpurine-2,6-dione hydrochloride IUPAC Name: 3-cyclopropyl-1-[8-(diethylamino)-5-hydroxy-5-methyloct-6-ynyl]-7-propylpurine-2,6-dione hydrochloride Traditional Name: 3-cyclopropyl-1-[8-(diethylamino)-5-hydroxy-5-methyl-oct-6-ynyl]-7-propyl-xanthine hydrochloride Formula: C24H38ClN5O3 MolecularWeight: 480.04322

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)CCCCC(C)(C#CCN(CC)CC)O.Cl

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)CCCCC(C)(C#CCN(CC)CC)O.Cl

InChI

InChI=1S/C24H37N5O3.ClH/c1-5-15-27-18-25-21-20(27)22(30)28(23(31)29(21)19-11-12-19)17-9-8-13-24(4,32)14-10-16-26(6-2)7-3;/h18-19,32H,5-9,11-13,15-17H2,1-4H3;1H