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

Systemtic Name: 1-[2-[6-azanyl-9-methyl-8-(3-methylphenyl)purin-2-yl]ethynyl]cyclohexan-1-ol hydrochloride Openeye Name: 1-[2-[6-amino-9-methyl-8-(m-tolyl)purin-2-yl]ethynyl]cyclohexanol hydrochloride CAS Name: 1-[2-[6-amino-9-methyl-8-(3-methylphenyl)-2-purinyl]ethynyl]-1-cyclohexanol hydrochloride IUPAC Name: 1-[2-[6-amino-9-methyl-8-(3-methylphenyl)purin-2-yl]ethynyl]cyclohexan-1-ol hydrochloride Traditional Name: 1-[2-[6-amino-9-methyl-8-(m-tolyl)purin-2-yl]ethynyl]cyclohexanol hydrochloride Formula: C21H24ClN5O MolecularWeight: 397.90116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(N2C)N=C(N=C3N)C#CC4(CCCCC4)O.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(N2C)N=C(N=C3N)C#CC4(CCCCC4)O.Cl

InChI

InChI=1S/C21H23N5O.ClH/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,(H2,22,23,24);1H