1,3-dimethyl-7-[2-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]ethyl]purine-2,6-dione hydrochloride

Systemtic Name: 1,3-dimethyl-7-[2-[(6-methyl-6-oxidanyl-heptan-2-yl)amino]ethyl]purine-2,6-dione hydrochloride Openeye Name: 7-[2-[(5-hydroxy-1,5-dimethyl-hexyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione hydrochloride CAS Name: 7-[2-[(6-hydroxy-6-methylheptan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride IUPAC Name: 7-[2-[(6-hydroxy-6-methylheptan-2-yl)amino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride Traditional Name: 7-[2-[(5-hydroxy-1,5-dimethyl-hexyl)amino]ethyl]-1,3-dimethyl-xanthine hydrochloride Formula: C17H30ClN5O3 MolecularWeight: 387.9048

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)NCCN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl

Isomeric SMILES

CC(CCCC(C)(C)O)NCCN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl

InChI

InChI=1S/C17H29N5O3.ClH/c1-12(7-6-8-17(2,3)25)18-9-10-22-11-19-14-13(22)15(23)21(5)16(24)20(14)4;/h11-12,18,25H,6-10H2,1-5H3;1H