(1S,3R)-1-[2-[6-azanyl-9-(3-thiophen-2-ylprop-2-ynyl)purin-2-yl]ethynyl]-3-methyl-cyclohexan-1-ol

Systemtic Name: (1S,3R)-1-[2-[6-azanyl-9-(3-thiophen-2-ylprop-2-ynyl)purin-2-yl]ethynyl]-3-methyl-cyclohexan-1-ol Openeye Name: (1S,3R)-1-[2-[6-amino-9-[3-(2-thienyl)prop-2-ynyl]purin-2-yl]ethynyl]-3-methyl-cyclohexanol CAS Name: (1S,3R)-1-[2-[6-amino-9-(3-thiophen-2-ylprop-2-ynyl)-2-purinyl]ethynyl]-3-methyl-1-cyclohexanol IUPAC Name: (1S,3R)-1-[2-[6-amino-9-(3-thiophen-2-ylprop-2-ynyl)purin-2-yl]ethynyl]-3-methylcyclohexan-1-ol Traditional Name: (1S,3R)-1-[2-[6-amino-9-[3-(2-thienyl)prop-2-ynyl]purin-2-yl]ethynyl]-3-methyl-cyclohexanol Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C#CC2=NC3=C(C(=N2)N)N=CN3CC#CC4=CC=CS4)O

Isomeric SMILES

C[C@@H]1CCC[C@](C1)(C#CC2=NC3=C(C(=N2)N)N=CN3CC#CC4=CC=CS4)O

InChI

InChI=1S/C21H21N5OS/c1-15-5-2-9-21(27,13-15)10-8-17-24-19(22)18-20(25-17)26(14-23-18)11-3-6-16-7-4-12-28-16/h4,7,12,14-15,27H,2,5,9,11,13H2,1H3,(H2,22,24,25)/t15-,21-/m1/s1