1-[6-(dibutylamino)-3-methyl-3-oxidanyl-hex-4-ynyl]-3-methyl-7-propyl-purine-2,6-dione hydrochloride

Systemtic Name: 1-[6-(dibutylamino)-3-methyl-3-oxidanyl-hex-4-ynyl]-3-methyl-7-propyl-purine-2,6-dione hydrochloride Openeye Name: 1-[6-(dibutylamino)-3-hydroxy-3-methyl-hex-4-ynyl]-3-methyl-7-propyl-purine-2,6-dione hydrochloride CAS Name: 1-[6-(dibutylamino)-3-hydroxy-3-methylhex-4-ynyl]-3-methyl-7-propylpurine-2,6-dione hydrochloride IUPAC Name: 1-[6-(dibutylamino)-3-hydroxy-3-methylhex-4-ynyl]-3-methyl-7-propylpurine-2,6-dione hydrochloride Traditional Name: 1-[6-(dibutylamino)-3-hydroxy-3-methyl-hex-4-ynyl]-3-methyl-7-propyl-xanthine hydrochloride Formula: C24H40ClN5O3 MolecularWeight: 482.0591

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC#CC(C)(CCN1C(=O)C2=C(N=CN2CCC)N(C1=O)C)O.Cl

Isomeric SMILES

CCCCN(CCCC)CC#CC(C)(CCN1C(=O)C2=C(N=CN2CCC)N(C1=O)C)O.Cl

InChI

InChI=1S/C24H39N5O3.ClH/c1-6-9-15-27(16-10-7-2)17-11-12-24(4,32)13-18-29-22(30)20-21(26(5)23(29)31)25-19-28(20)14-8-3;/h19,32H,6-10,13-18H2,1-5H3;1H