3,7-dimethyl-1-(5-oxidanylidenehexyl)purine-2,6-dione hydrochloride

Systemtic Name: 3,7-dimethyl-1-(5-oxidanylidenehexyl)purine-2,6-dione hydrochloride Openeye Name: 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione hydrochloride CAS Name: 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione hydrochloride IUPAC Name: 3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione hydrochloride Traditional Name: 1-(5-ketohexyl)-3,7-dimethyl-xanthine hydrochloride Formula: C13H19ClN4O3 MolecularWeight: 314.76796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3.ClH/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20;/h8H,4-7H2,1-3H3;1H