propan-2-yl 2-[2-[(1S,3R)-3-methyl-1-oxidanyl-cyclohexyl]ethynyl]-6-(pentan-3-ylamino)purine-9-carboxylate

Systemtic Name: propan-2-yl 2-[2-[(1S,3R)-3-methyl-1-oxidanyl-cyclohexyl]ethynyl]-6-(pentan-3-ylamino)purine-9-carboxylate Openeye Name: isopropyl 6-(1-ethylpropylamino)-2-[2-[(1S,3R)-1-hydroxy-3-methyl-cyclohexyl]ethynyl]purine-9-carboxylate CAS Name: 2-[2-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]ethynyl]-6-(pentan-3-ylamino)-9-purinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]ethynyl]-6-(pentan-3-ylamino)purine-9-carboxylate Traditional Name: 6-(1-ethylpropylamino)-2-[2-[(1S,3R)-1-hydroxy-3-methyl-cyclohexyl]ethynyl]purine-9-carboxylic acid isopropyl ester Formula: C23H33N5O3 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O3/c1-6-17(7-2)25-20-19-21(28(14-24-19)22(29)31-15(3)4)27-18(26-20)10-12-23(30)11-8-9-16(5)13-23/h14-17,30H,6-9,11,13H2,1-5H3,(H,25,26,27)/t16-,23-/m1/s1