2-azanyl-6-[8-(4-chlorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexan-1-ol

Systemtic Name: 2-azanyl-6-[8-(4-chlorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexan-1-ol Openeye Name: 2-amino-6-[8-(4-chlorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexanol CAS Name: 2-amino-6-[8-(4-chlorophenyl)-9-methyl-2-purinyl]-1-ethynyl-1-cyclohexanol IUPAC Name: 2-amino-6-[8-(4-chlorophenyl)-9-methylpurin-2-yl]-1-ethynylcyclohexan-1-ol Traditional Name: 2-amino-6-[8-(4-chlorophenyl)-9-methyl-purin-2-yl]-1-ethynyl-cyclohexanol Formula: C20H20ClN5O MolecularWeight: 381.8587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O/c1-3-20(27)14(5-4-6-16(20)22)17-23-11-15-19(25-17)26(2)18(24-15)12-7-9-13(21)10-8-12/h1,7-11,14,16,27H,4-6,22H2,2H3