9-[[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methyl]purin-2-amine

Systemtic Name: 9-[[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methyl]purin-2-amine Openeye Name: 9-[[(2S)-1-(4-isopropylphenyl)sulfonylpyrrolidin-2-yl]methyl]purin-2-amine CAS Name: 9-[[(2S)-1-(4-propan-2-ylphenyl)sulfonyl-2-pyrrolidinyl]methyl]-2-purinamine IUPAC Name: 9-[[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methyl]purin-2-amine Traditional Name: [9-[[(2S)-1-p-cumenylsulfonylpyrrolidin-2-yl]methyl]purin-2-yl]amine Formula: C19H24N6O2S MolecularWeight: 400.49786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCCC2CN3C=NC4=CN=C(N=C43)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2CN3C=NC4=CN=C(N=C43)N

InChI

InChI=1S/C19H24N6O2S/c1-13(2)14-5-7-16(8-6-14)28(26,27)25-9-3-4-15(25)11-24-12-22-17-10-21-19(20)23-18(17)24/h5-8,10,12-13,15H,3-4,9,11H2,1-2H3,(H2,20,21,23)/t15-/m0/s1