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

Systemtic Name: 1-[2-[6-chloranyl-9-methyl-8-(3-methylphenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-chloro-9-methyl-8-(m-tolyl)purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-chloro-9-methyl-8-(3-methylphenyl)-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-[6-chloro-9-methyl-8-(3-methylphenyl)purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-chloro-9-methyl-8-(m-tolyl)purin-2-yl]ethynyl]cyclohexanol Formula: C21H21ClN4O MolecularWeight: 380.87064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(N2C)N=C(N=C3Cl)C#CC4(CCCCC4)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(N2C)N=C(N=C3Cl)C#CC4(CCCCC4)O

InChI

InChI=1S/C21H21ClN4O/c1-14-7-6-8-15(13-14)19-25-17-18(22)23-16(24-20(17)26(19)2)9-12-21(27)10-4-3-5-11-21/h6-8,13,27H,3-5,10-11H2,1-2H3