N-[[6-(2,2-diphenylethylamino)-9-(oxan-2-yl)purin-2-yl]methyl]-2-methyl-propane-1-sulfonamide

Systemtic Name: N-[[6-(2,2-diphenylethylamino)-9-(oxan-2-yl)purin-2-yl]methyl]-2-methyl-propane-1-sulfonamide Openeye Name: N-[[6-(2,2-diphenylethylamino)-9-tetrahydropyran-2-yl-purin-2-yl]methyl]-2-methyl-propane-1-sulfonamide CAS Name: N-[[6-(2,2-diphenylethylamino)-9-(2-oxanyl)-2-purinyl]methyl]-2-methyl-1-propanesulfonamide IUPAC Name: N-[[6-(2,2-diphenylethylamino)-9-(oxan-2-yl)purin-2-yl]methyl]-2-methylpropane-1-sulfonamide Traditional Name: N-[[6-(2,2-diphenylethylamino)-9-tetrahydropyran-2-yl-purin-2-yl]methyl]-2-methyl-propane-1-sulfonamide Formula: C29H36N6O3S MolecularWeight: 548.69954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)NCC1=NC2=C(C(=N1)NCC(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5CCCCO5

Isomeric SMILES

CC(C)CS(=O)(=O)NCC1=NC2=C(C(=N1)NCC(C3=CC=CC=C3)C4=CC=CC=C4)N=CN2C5CCCCO5

InChI

InChI=1S/C29H36N6O3S/c1-21(2)19-39(36,37)32-18-25-33-28(27-29(34-25)35(20-31-27)26-15-9-10-16-38-26)30-17-24(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-8,11-14,20-21,24,26,32H,9-10,15-19H2,1-2H3,(H,30,33,34)