3-(6-azanylhexyl)-7-methyl-1-(5-oxidanylhexyl)purine-2,6-dione hydrochloride

Systemtic Name: 3-(6-azanylhexyl)-7-methyl-1-(5-oxidanylhexyl)purine-2,6-dione hydrochloride Openeye Name: 3-(6-aminohexyl)-1-(5-hydroxyhexyl)-7-methyl-purine-2,6-dione hydrochloride CAS Name: 3-(6-aminohexyl)-1-(5-hydroxyhexyl)-7-methylpurine-2,6-dione hydrochloride IUPAC Name: 3-(6-aminohexyl)-1-(5-hydroxyhexyl)-7-methylpurine-2,6-dione hydrochloride Traditional Name: 3-(6-aminohexyl)-1-(5-hydroxyhexyl)-7-methyl-xanthine hydrochloride Formula: C18H32ClN5O3 MolecularWeight: 401.93138

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCCCCCN)O.Cl

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)CCCCCCN)O.Cl

InChI

InChI=1S/C18H31N5O3.ClH/c1-14(24)9-5-8-12-23-17(25)15-16(20-13-21(15)2)22(18(23)26)11-7-4-3-6-10-19;/h13-14,24H,3-12,19H2,1-2H3;1H