4-azanyl-N-(6-methoxy-2-methyl-pyrimidin-4-yl)benzenesulfonamide hydrate

Systemtic Name: 4-azanyl-N-(6-methoxy-2-methyl-pyrimidin-4-yl)benzenesulfonamide hydrate Openeye Name: 4-amino-N-(6-methoxy-2-methyl-pyrimidin-4-yl)benzenesulfonamide hydrate CAS Name: 4-amino-N-(6-methoxy-2-methyl-4-pyrimidinyl)benzenesulfonamide hydrate IUPAC Name: 4-amino-N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide hydrate Traditional Name: 4-amino-N-(6-methoxy-2-methyl-pyrimidin-4-yl)benzenesulfonamide hydrate Formula: C12H16N4O4S MolecularWeight: 312.34484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)OC)NS(=O)(=O)C2=CC=C(C=C2)N.O

Isomeric SMILES

CC1=NC(=CC(=N1)OC)NS(=O)(=O)C2=CC=C(C=C2)N.O

InChI

InChI=1S/C12H14N4O3S.H2O/c1-8-14-11(7-12(15-8)19-2)16-20(17,18)10-5-3-9(13)4-6-10;/h3-7H,13H2,1-2H3,(H,14,15,16);1H2