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

Systemtic Name: (1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-9-prop-2-enyl-purin-2-yl]ethynyl]cyclohexan-1-ol Openeye Name: (1S,3R)-1-[2-[9-allyl-6-(1-ethylpropylamino)purin-2-yl]ethynyl]-3-methyl-cyclohexanol CAS Name: (1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-9-prop-2-enyl-2-purinyl]ethynyl]-1-cyclohexanol IUPAC Name: (1S,3R)-3-methyl-1-[2-[6-(pentan-3-ylamino)-9-prop-2-enylpurin-2-yl]ethynyl]cyclohexan-1-ol Traditional Name: (1S,3R)-1-[2-[9-allyl-6-(1-ethylpropylamino)purin-2-yl]ethynyl]-3-methyl-cyclohexanol Formula: C22H31N5O MolecularWeight: 381.51444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC2=C1N=CN2CC=C)C#CC3(CCCC(C3)C)O

Isomeric SMILES

CCC(CC)NC1=NC(=NC2=C1N=CN2CC=C)C#C[C@@]3(CCC[C@H](C3)C)O

InChI

InChI=1S/C22H31N5O/c1-5-13-27-15-23-19-20(24-17(6-2)7-3)25-18(26-21(19)27)10-12-22(28)11-8-9-16(4)14-22/h5,15-17,28H,1,6-9,11,13-14H2,2-4H3,(H,24,25,26)/t16-,22-/m1/s1