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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=CN=C(N=C3N2C)C4CCCC(C4(C#C)O)N.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=CN=C(N=C3N2C)C4CCCC(C4(C#C)O)N.Cl

InChI

InChI=1S/C21H23N5O.ClH/c1-4-21(27)15(9-6-10-17(21)22)18-23-12-16-20(25-18)26(3)19(24-16)14-8-5-7-13(2)11-14;/h1,5,7-8,11-12,15,17,27H,6,9-10,22H2,2-3H3;1H