1-[9-(diethylamino)-6-methyl-6-oxidanyl-non-7-ynyl]-3-methyl-7-propyl-purine-2,6-dione hydrochloride

Systemtic Name: 1-[9-(diethylamino)-6-methyl-6-oxidanyl-non-7-ynyl]-3-methyl-7-propyl-purine-2,6-dione hydrochloride Openeye Name: 1-[9-(diethylamino)-6-hydroxy-6-methyl-non-7-ynyl]-3-methyl-7-propyl-purine-2,6-dione hydrochloride CAS Name: 1-[9-(diethylamino)-6-hydroxy-6-methylnon-7-ynyl]-3-methyl-7-propylpurine-2,6-dione hydrochloride IUPAC Name: 1-[9-(diethylamino)-6-hydroxy-6-methylnon-7-ynyl]-3-methyl-7-propylpurine-2,6-dione hydrochloride Traditional Name: 1-[9-(diethylamino)-6-hydroxy-6-methyl-non-7-ynyl]-3-methyl-7-propyl-xanthine hydrochloride Formula: C23H38ClN5O3 MolecularWeight: 468.03252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N5O3.ClH/c1-6-15-27-18-24-20-19(27)21(29)28(22(30)25(20)5)17-11-9-10-13-23(4,31)14-12-16-26(7-2)8-3;/h18,31H,6-11,13,15-17H2,1-5H3;1H