2-(2-cyclohexylethynyl)-8-(furan-2-yl)-9-methyl-purin-6-amine hydrochloride

Systemtic Name: 2-(2-cyclohexylethynyl)-8-(furan-2-yl)-9-methyl-purin-6-amine hydrochloride Openeye Name: 2-(2-cyclohexylethynyl)-8-(2-furyl)-9-methyl-purin-6-amine hydrochloride CAS Name: 2-(2-cyclohexylethynyl)-8-(2-furanyl)-9-methyl-6-purinamine hydrochloride IUPAC Name: 2-(2-cyclohexylethynyl)-8-(furan-2-yl)-9-methylpurin-6-amine hydrochloride Traditional Name: [2-(2-cyclohexylethynyl)-8-(2-furyl)-9-methyl-purin-6-yl]amine hydrochloride Formula: C18H20ClN5O MolecularWeight: 357.8373

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3CCCCC3)N)N=C1C4=CC=CO4.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3CCCCC3)N)N=C1C4=CC=CO4.Cl

InChI

InChI=1S/C18H19N5O.ClH/c1-23-17(13-8-5-11-24-13)22-15-16(19)20-14(21-18(15)23)10-9-12-6-3-2-4-7-12;/h5,8,11-12H,2-4,6-7H2,1H3,(H2,19,20,21);1H