N-[3-[(6-morpholin-4-yl-7H-purin-2-yl)amino]phenyl]methanesulfonamide

Systemtic Name: N-[3-[(6-morpholin-4-yl-7H-purin-2-yl)amino]phenyl]methanesulfonamide Openeye Name: N-[3-[(6-morpholino-7H-purin-2-yl)amino]phenyl]methanesulfonamide CAS Name: N-[3-[[6-(4-morpholinyl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[(6-morpholin-4-yl-7H-purin-2-yl)amino]phenyl]methanesulfonamide Traditional Name: N-[3-[(6-morpholino-7H-purin-2-yl)amino]phenyl]methanesulfonamide Formula: C16H19N7O3S MolecularWeight: 389.43216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC3=C(C(=N2)N4CCOCC4)NC=N3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)NC2=NC3=C(C(=N2)N4CCOCC4)NC=N3

InChI

InChI=1S/C16H19N7O3S/c1-27(24,25)22-12-4-2-3-11(9-12)19-16-20-14-13(17-10-18-14)15(21-16)23-5-7-26-8-6-23/h2-4,9-10,22H,5-8H2,1H3,(H2,17,18,19,20,21)