1-[2-[6-chloranyl-8-(3-methoxyphenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: 1-[2-[6-chloranyl-8-(3-methoxyphenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-chloro-8-(3-methoxyphenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-chloro-8-(3-methoxyphenyl)-9-methyl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-chloro-8-(3-methoxyphenyl)-9-methylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-chloro-8-(3-methoxyphenyl)-9-methyl-purin-2-yl]ethynyl]cyclohexanol Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)Cl)N=C1C4=CC(=CC=C4)OC

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)Cl)N=C1C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H21ClN4O2/c1-26-19(14-7-6-8-15(13-14)28-2)25-17-18(22)23-16(24-20(17)26)9-12-21(27)10-4-3-5-11-21/h6-8,13,27H,3-5,10-11H2,1-2H3