N-[3-[[6-(4-methylimidazol-1-yl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide

Systemtic Name: N-[3-[[6-(4-methylimidazol-1-yl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: N-[3-[[6-(4-methylimidazol-1-yl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide CAS Name: N-[3-[[6-(4-methyl-1-imidazolyl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-[3-[[6-(4-methylimidazol-1-yl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: N-[3-[[6-(4-methylimidazol-1-yl)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Formula: C16H16N8O2S MolecularWeight: 384.41564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=NC(=NC3=C2NC=N3)NC4=CC(=CC=C4)NS(=O)(=O)C

Isomeric SMILES

CC1=CN(C=N1)C2=NC(=NC3=C2NC=N3)NC4=CC(=CC=C4)NS(=O)(=O)C

InChI

InChI=1S/C16H16N8O2S/c1-10-7-24(9-19-10)15-13-14(18-8-17-13)21-16(22-15)20-11-4-3-5-12(6-11)23-27(2,25)26/h3-9,23H,1-2H3,(H2,17,18,20,21,22)