8-(3-azanyl-2,2-dimethyl-propoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione hydrochloride

Systemtic Name: 8-(3-azanyl-2,2-dimethyl-propoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione hydrochloride Openeye Name: 8-(3-amino-2,2-dimethyl-propoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione hydrochloride CAS Name: 8-(3-amino-2,2-dimethylpropoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione hydrochloride IUPAC Name: 8-(3-amino-2,2-dimethylpropoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione hydrochloride Traditional Name: 8-(3-amino-2,2-dimethyl-propoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine hydrochloride Formula: C24H32ClN5O4 MolecularWeight: 489.99498

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OCC(C)(C)CN)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C)C.Cl

Isomeric SMILES

CC(=CCN1C2=C(N=C1OCC(C)(C)CN)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C)C.Cl

InChI

InChI=1S/C24H31N5O4.ClH/c1-16(2)11-12-28-19-20(26-22(28)33-15-24(3,4)14-25)27(5)23(32)29(21(19)31)13-18(30)17-9-7-6-8-10-17;/h6-11H,12-15,25H2,1-5H3;1H