1-ethynyl-2-(3-methylphenyl)-2-(7H-purin-2-yl)cyclohexan-1-ol

Systemtic Name: 1-ethynyl-2-(3-methylphenyl)-2-(7H-purin-2-yl)cyclohexan-1-ol Openeye Name: 1-ethynyl-2-(m-tolyl)-2-(7H-purin-2-yl)cyclohexanol CAS Name: 1-ethynyl-2-(3-methylphenyl)-2-(7H-purin-2-yl)-1-cyclohexanol IUPAC Name: 1-ethynyl-2-(3-methylphenyl)-2-(7H-purin-2-yl)cyclohexan-1-ol Traditional Name: 1-ethynyl-2-(m-tolyl)-2-(7H-purin-2-yl)cyclohexanol Formula: C20H20N4O MolecularWeight: 332.399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CCCCC2(C#C)O)C3=NC=C4C(=N3)N=CN4

Isomeric SMILES

CC1=CC=CC(=C1)C2(CCCCC2(C#C)O)C3=NC=C4C(=N3)N=CN4

InChI

InChI=1S/C20H20N4O/c1-3-19(25)9-4-5-10-20(19,15-8-6-7-14(2)11-15)18-21-12-16-17(24-18)23-13-22-16/h1,6-8,11-13,25H,4-5,9-10H2,2H3,(H,21,22,23,24)