N-[3-[[6-[2-cyanoethyl(methyl)amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[6-[2-cyanoethyl(methyl)amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[6-[2-cyanoethyl(methyl)amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[6-[2-cyanoethyl(methyl)amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[6-[2-cyanoethyl(methyl)amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[6-[2-cyanoethyl(methyl)amino]-7H-purin-2-yl]amino]phenyl]methanesulfonamide Formula: C16H18N8O2S MolecularWeight: 386.43152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=NC(=NC2=C1NC=N2)NC3=CC(=CC=C3)NS(=O)(=O)C

Isomeric SMILES

CN(CCC#N)C1=NC(=NC2=C1NC=N2)NC3=CC(=CC=C3)NS(=O)(=O)C

InChI

InChI=1S/C16H18N8O2S/c1-24(8-4-7-17)15-13-14(19-10-18-13)21-16(22-15)20-11-5-3-6-12(9-11)23-27(2,25)26/h3,5-6,9-10,23H,4,8H2,1-2H3,(H2,18,19,20,21,22)