2-(4-cyclohexylbut-1-ynyl)-8-(furan-2-yl)-9-methyl-purin-6-amine hydrochloride

Systemtic Name: 2-(4-cyclohexylbut-1-ynyl)-8-(furan-2-yl)-9-methyl-purin-6-amine hydrochloride Openeye Name: 2-(4-cyclohexylbut-1-ynyl)-8-(2-furyl)-9-methyl-purin-6-amine hydrochloride CAS Name: 2-(4-cyclohexylbut-1-ynyl)-8-(2-furanyl)-9-methyl-6-purinamine hydrochloride IUPAC Name: 2-(4-cyclohexylbut-1-ynyl)-8-(furan-2-yl)-9-methylpurin-6-amine hydrochloride Traditional Name: [2-(4-cyclohexylbut-1-ynyl)-8-(2-furyl)-9-methyl-purin-6-yl]amine hydrochloride Formula: C20H24ClN5O MolecularWeight: 385.89046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CCCC3CCCCC3)N)N=C1C4=CC=CO4.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CCCC3CCCCC3)N)N=C1C4=CC=CO4.Cl

InChI

InChI=1S/C20H23N5O.ClH/c1-25-19(15-11-7-13-26-15)24-17-18(21)22-16(23-20(17)25)12-6-5-10-14-8-3-2-4-9-14;/h7,11,13-14H,2-5,8-10H2,1H3,(H2,21,22,23);1H