2-[6-azanyl-8-[3-(dimethylamino)phenyl]-9-methyl-purin-2-yl]-1-ethynyl-cyclohexan-1-ol hydrochloride

Systemtic Name: 2-[6-azanyl-8-[3-(dimethylamino)phenyl]-9-methyl-purin-2-yl]-1-ethynyl-cyclohexan-1-ol hydrochloride Openeye Name: 2-[6-amino-8-[3-(dimethylamino)phenyl]-9-methyl-purin-2-yl]-1-ethynyl-cyclohexanol hydrochloride CAS Name: 2-[6-amino-8-[3-(dimethylamino)phenyl]-9-methyl-2-purinyl]-1-ethynyl-1-cyclohexanol hydrochloride IUPAC Name: 2-[6-amino-8-[3-(dimethylamino)phenyl]-9-methylpurin-2-yl]-1-ethynylcyclohexan-1-ol hydrochloride Traditional Name: 2-[6-amino-8-[3-(dimethylamino)phenyl]-9-methyl-purin-2-yl]-1-ethynyl-cyclohexanol hydrochloride Formula: C22H27ClN6O MolecularWeight: 426.94238

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCCC3(C#C)O)N)N=C1C4=CC(=CC=C4)N(C)C.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCCC3(C#C)O)N)N=C1C4=CC(=CC=C4)N(C)C.Cl

InChI

InChI=1S/C22H26N6O.ClH/c1-5-22(29)12-7-6-11-16(22)19-25-18(23)17-21(26-19)28(4)20(24-17)14-9-8-10-15(13-14)27(2)3;/h1,8-10,13,16,29H,6-7,11-12H2,2-4H3,(H2,23,25,26);1H