8-butyl-1,3-dimethyl-7H-purine-2,6-dione hydrochloride

Systemtic Name: 8-butyl-1,3-dimethyl-7H-purine-2,6-dione hydrochloride Openeye Name: 8-butyl-1,3-dimethyl-7H-purine-2,6-dione hydrochloride CAS Name: 8-butyl-1,3-dimethyl-7H-purine-2,6-dione hydrochloride IUPAC Name: 8-butyl-1,3-dimethyl-7H-purine-2,6-dione hydrochloride Traditional Name: 8-butyl-1,3-dimethyl-7H-purine-2,6-quinone hydrochloride Formula: C11H17ClN4O2 MolecularWeight: 272.73128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C.Cl

Isomeric SMILES

CCCCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C.Cl

InChI

InChI=1S/C11H16N4O2.ClH/c1-4-5-6-7-12-8-9(13-7)14(2)11(17)15(3)10(8)16;/h4-6H2,1-3H3,(H,12,13);1H