(1S,3R)-3-methyl-1-[2-[6-(pyridin-2-ylmethylamino)-7H-purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: (1S,3R)-3-methyl-1-[2-[6-(pyridin-2-ylmethylamino)-7H-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: (1S,3R)-3-methyl-1-[2-[6-(2-pyridylmethylamino)-7H-purin-2-yl]ethynyl]cyclohexanol CAS Name: (1S,3R)-3-methyl-1-[2-[6-(2-pyridinylmethylamino)-7H-purin-2-yl]ethynyl]-1-cyclohexanol IUPAC Name: (1S,3R)-3-methyl-1-[2-[6-(pyridin-2-ylmethylamino)-7H-purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: (1S,3R)-3-methyl-1-[2-[6-(2-pyridylmethylamino)-7H-purin-2-yl]ethynyl]cyclohexanol Formula: C20H22N6O MolecularWeight: 362.42828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C#CC2=NC3=C(C(=N2)NCC4=CC=CC=N4)NC=N3)O

Isomeric SMILES

C[C@@H]1CCC[C@](C1)(C#CC2=NC3=C(C(=N2)NCC4=CC=CC=N4)NC=N3)O

InChI

InChI=1S/C20H22N6O/c1-14-5-4-8-20(27,11-14)9-7-16-25-18(17-19(26-16)24-13-23-17)22-12-15-6-2-3-10-21-15/h2-3,6,10,13-14,27H,4-5,8,11-12H2,1H3,(H2,22,23,24,25,26)/t14-,20-/m1/s1