2-[6-azanyl-2-[2-[(1S,3R)-3-methyl-1-oxidanyl-cyclohexyl]ethynyl]purin-9-yl]ethanenitrile

Systemtic Name: 2-[6-azanyl-2-[2-[(1S,3R)-3-methyl-1-oxidanyl-cyclohexyl]ethynyl]purin-9-yl]ethanenitrile Openeye Name: 2-[6-amino-2-[2-[(1S,3R)-1-hydroxy-3-methyl-cyclohexyl]ethynyl]purin-9-yl]acetonitrile CAS Name: 2-[6-amino-2-[2-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]ethynyl]-9-purinyl]acetonitrile IUPAC Name: 2-[6-amino-2-[2-[(1S,3R)-1-hydroxy-3-methylcyclohexyl]ethynyl]purin-9-yl]acetonitrile Traditional Name: 2-[6-amino-2-[2-[(1S,3R)-1-hydroxy-3-methyl-cyclohexyl]ethynyl]purin-9-yl]acetonitrile Formula: C16H18N6O MolecularWeight: 310.35372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N6O/c1-11-3-2-5-16(23,9-11)6-4-12-20-14(18)13-15(21-12)22(8-7-17)10-19-13/h10-11,23H,2-3,5,8-9H2,1H3,(H2,18,20,21)/t11-,16-/m1/s1