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

Systemtic Name: 1-[2-(6-azanyl-9-methyl-8-phenyl-purin-2-yl)ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-(6-amino-9-methyl-8-phenyl-purin-2-yl)ethynyl]cyclohexanol CAS Name: 1-[2-(6-amino-9-methyl-8-phenyl-2-purinyl)ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-(6-amino-9-methyl-8-phenylpurin-2-yl)ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-(6-amino-9-methyl-8-phenyl-purin-2-yl)ethynyl]cyclohexanol Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O/c1-25-18(14-8-4-2-5-9-14)24-16-17(21)22-15(23-19(16)25)10-13-20(26)11-6-3-7-12-20/h2,4-5,8-9,26H,3,6-7,11-12H2,1H3,(H2,21,22,23)