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

Systemtic Name: 1-[2-(6-azanyl-9-methyl-8-pyridin-2-yl-purin-2-yl)ethynyl]cyclohexan-1-ol Openeye Name: 1-[2-[6-amino-9-methyl-8-(2-pyridyl)purin-2-yl]ethynyl]cyclohexanol CAS Name: 1-[2-[6-amino-9-methyl-8-(2-pyridinyl)-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: 1-[2-(6-amino-9-methyl-8-pyridin-2-ylpurin-2-yl)ethynyl]cyclohexan-1-ol Traditional Name: 1-[2-[6-amino-9-methyl-8-(2-pyridyl)purin-2-yl]ethynyl]cyclohexanol Formula: C19H20N6O MolecularWeight: 348.4017

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC=CC=N4

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCCC3)O)N)N=C1C4=CC=CC=N4

InChI

InChI=1S/C19H20N6O/c1-25-17(13-7-3-6-12-21-13)24-15-16(20)22-14(23-18(15)25)8-11-19(26)9-4-2-5-10-19/h3,6-7,12,26H,2,4-5,9-10H2,1H3,(H2,20,22,23)