(1S,3R)-3-methyl-1-[2-[9-prop-2-ynyl-6-(pyridin-2-ylmethylamino)purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: (1S,3R)-3-methyl-1-[2-[9-prop-2-ynyl-6-(pyridin-2-ylmethylamino)purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: (1S,3R)-3-methyl-1-[2-[9-prop-2-ynyl-6-(2-pyridylmethylamino)purin-2-yl]ethynyl]cyclohexanol CAS Name: (1S,3R)-3-methyl-1-[2-[9-prop-2-ynyl-6-(2-pyridinylmethylamino)-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: (1S,3R)-3-methyl-1-[2-[9-prop-2-ynyl-6-(pyridin-2-ylmethylamino)purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: (1S,3R)-3-methyl-1-[2-[9-propargyl-6-(2-pyridylmethylamino)purin-2-yl]ethynyl]cyclohexanol Formula: C23H24N6O MolecularWeight: 400.47626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C#CC2=NC3=C(C(=N2)NCC4=CC=CC=N4)N=CN3CC#C)O

Isomeric SMILES

C[C@@H]1CCC[C@](C1)(C#CC2=NC3=C(C(=N2)NCC4=CC=CC=N4)N=CN3CC#C)O

InChI

InChI=1S/C23H24N6O/c1-3-13-29-16-26-20-21(25-15-18-8-4-5-12-24-18)27-19(28-22(20)29)9-11-23(30)10-6-7-17(2)14-23/h1,4-5,8,12,16-17,30H,6-7,10,13-15H2,2H3,(H,25,27,28)/t17-,23-/m1/s1