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

Systemtic Name: (1S,3R)-1-[2-[9-cyclopentyl-6-(pentan-3-ylamino)purin-2-yl]ethynyl]-3-methyl-cyclohexan-1-ol Openeye Name: (1S,3R)-1-[2-[9-cyclopentyl-6-(1-ethylpropylamino)purin-2-yl]ethynyl]-3-methyl-cyclohexanol CAS Name: (1S,3R)-1-[2-[9-cyclopentyl-6-(pentan-3-ylamino)-2-purinyl]ethynyl]-3-methyl-1-cyclohexanol IUPAC Name: (1S,3R)-1-[2-[9-cyclopentyl-6-(pentan-3-ylamino)purin-2-yl]ethynyl]-3-methylcyclohexan-1-ol Traditional Name: (1S,3R)-1-[2-[9-cyclopentyl-6-(1-ethylpropylamino)purin-2-yl]ethynyl]-3-methyl-cyclohexanol Formula: C24H35N5O MolecularWeight: 409.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC2=C1N=CN2C3CCCC3)C#CC4(CCCC(C4)C)O

Isomeric SMILES

CCC(CC)NC1=NC(=NC2=C1N=CN2C3CCCC3)C#C[C@@]4(CCC[C@H](C4)C)O

InChI

InChI=1S/C24H35N5O/c1-4-18(5-2)26-22-21-23(29(16-25-21)19-10-6-7-11-19)28-20(27-22)12-14-24(30)13-8-9-17(3)15-24/h16-19,30H,4-11,13,15H2,1-3H3,(H,26,27,28)/t17-,24-/m1/s1