(1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-9-propan-2-yl-purin-2-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: (1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-9-propan-2-yl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: (1S,3R)-1-[2-[6-(1-ethylpropylamino)-9-isopropyl-purin-2-yl]ethynyl]-3-methyl-cyclohexanol CAS Name: (1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-9-propan-2-yl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: (1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-9-propan-2-ylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: (1S,3R)-1-[2-[6-(1-ethylpropylamino)-9-isopropyl-purin-2-yl]ethynyl]-3-methyl-cyclohexanol Formula: C22H33N5O MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC2=C1N=CN2C(C)C)C#CC3(CCCC(C3)C)O

Isomeric SMILES

CCC(CC)NC1=NC(=NC2=C1N=CN2C(C)C)C#C[C@@]3(CCC[C@H](C3)C)O

InChI

InChI=1S/C22H33N5O/c1-6-17(7-2)24-20-19-21(27(14-23-19)15(3)4)26-18(25-20)10-12-22(28)11-8-9-16(5)13-22/h14-17,28H,6-9,11,13H2,1-5H3,(H,24,25,26)/t16-,22-/m1/s1