2-azanyl-1-ethynyl-6-[8-[2-(3-fluorophenyl)-4-methoxy-phenyl]-9-methyl-purin-2-yl]cyclohexan-1-ol hydrochloride

Systemtic Name: 2-azanyl-1-ethynyl-6-[8-[2-(3-fluorophenyl)-4-methoxy-phenyl]-9-methyl-purin-2-yl]cyclohexan-1-ol hydrochloride Openeye Name: 2-amino-1-ethynyl-6-[8-[2-(3-fluorophenyl)-4-methoxy-phenyl]-9-methyl-purin-2-yl]cyclohexanol hydrochloride CAS Name: 2-amino-1-ethynyl-6-[8-[2-(3-fluorophenyl)-4-methoxyphenyl]-9-methyl-2-purinyl]-1-cyclohexanol hydrochloride IUPAC Name: 2-amino-1-ethynyl-6-[8-[2-(3-fluorophenyl)-4-methoxyphenyl]-9-methylpurin-2-yl]cyclohexan-1-ol hydrochloride Traditional Name: 2-amino-1-ethynyl-6-[8-[2-(3-fluorophenyl)-4-methoxy-phenyl]-9-methyl-purin-2-yl]cyclohexanol hydrochloride Formula: C27H27ClFN5O2 MolecularWeight: 507.986983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=C(C=C(C=C4)OC)C5=CC(=CC=C5)F.Cl

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)C3CCCC(C3(C#C)O)N)C4=C(C=C(C=C4)OC)C5=CC(=CC=C5)F.Cl

InChI

InChI=1S/C27H26FN5O2.ClH/c1-4-27(34)21(9-6-10-23(27)29)24-30-15-22-26(32-24)33(2)25(31-22)19-12-11-18(35-3)14-20(19)16-7-5-8-17(28)13-16;/h1,5,7-8,11-15,21,23,34H,6,9-10,29H2,2-3H3;1H