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

Systemtic Name: (1S,3R)-3-methyl-1-[2-[9-methyl-6-(pentan-3-ylamino)purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: (1S,3R)-1-[2-[6-(1-ethylpropylamino)-9-methyl-purin-2-yl]ethynyl]-3-methyl-cyclohexanol CAS Name: (1S,3R)-3-methyl-1-[2-[9-methyl-6-(pentan-3-ylamino)-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: (1S,3R)-3-methyl-1-[2-[9-methyl-6-(pentan-3-ylamino)purin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: (1S,3R)-1-[2-[6-(1-ethylpropylamino)-9-methyl-purin-2-yl]ethynyl]-3-methyl-cyclohexanol Formula: C20H29N5O MolecularWeight: 355.47716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O/c1-5-15(6-2)22-18-17-19(25(4)13-21-17)24-16(23-18)9-11-20(26)10-7-8-14(3)12-20/h13-15,26H,5-8,10,12H2,1-4H3,(H,22,23,24)/t14-,20-/m1/s1