3-[[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]methyl]-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 3-[[(2-azanyl-6-chloranyl-pyrimidin-4-yl)amino]methyl]-N-propan-2-yl-benzenesulfonamide Openeye Name: 3-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]-N-isopropyl-benzenesulfonamide CAS Name: 3-[[(2-amino-6-chloro-4-pyrimidinyl)amino]methyl]-N-propan-2-ylbenzenesulfonamide IUPAC Name: 3-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-N-propan-2-ylbenzenesulfonamide Traditional Name: 3-[[(2-amino-6-chloro-pyrimidin-4-yl)amino]methyl]-N-isopropyl-benzenesulfonamide Formula: C14H18ClN5O2S MolecularWeight: 355.84302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC2=CC(=NC(=N2)N)Cl

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC2=CC(=NC(=N2)N)Cl

InChI

InChI=1S/C14H18ClN5O2S/c1-9(2)20-23(21,22)11-5-3-4-10(6-11)8-17-13-7-12(15)18-14(16)19-13/h3-7,9,20H,8H2,1-2H3,(H3,16,17,18,19)