1-[2-(6-chloranyl-9-methyl-8-thiophen-2-yl-purin-2-yl)ethynyl]cyclohexan-1-ol

Systemtic Name: 1-[2-(6-chloranyl-9-methyl-8-thiophen-2-yl-purin-2-yl)ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-chloro-9-methyl-8-(2-thienyl)purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-(6-chloro-9-methyl-8-thiophen-2-yl-2-purinyl)ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-(6-chloro-9-methyl-8-thiophen-2-ylpurin-2-yl)ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-chloro-9-methyl-8-(2-thienyl)purin-2-yl]ethynyl]cyclohexanol Formula: C18H17ClN4OS MolecularWeight: 372.87178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)Cl)N=C1C4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)Cl)N=C1C4=CC=CS4

InChI

InChI=1S/C18H17ClN4OS/c1-23-16(12-6-5-11-25-12)22-14-15(19)20-13(21-17(14)23)7-10-18(24)8-3-2-4-9-18/h5-6,11,24H,2-4,8-9H2,1H3