6-[(4-chlorophenyl)sulfinylmethyl]-N,N-dimethyl-2-pyridin-2-yl-pyrimidin-4-amine hydrate

Systemtic Name: 6-[(4-chlorophenyl)sulfinylmethyl]-N,N-dimethyl-2-pyridin-2-yl-pyrimidin-4-amine hydrate Openeye Name: 6-[(4-chlorophenyl)sulfinylmethyl]-N,N-dimethyl-2-(2-pyridyl)pyrimidin-4-amine hydrate CAS Name: 6-[(4-chlorophenyl)sulfinylmethyl]-N,N-dimethyl-2-(2-pyridinyl)-4-pyrimidinamine hydrate IUPAC Name: 6-[(4-chlorophenyl)sulfinylmethyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine hydrate Traditional Name: [6-[(4-chlorophenyl)sulfinylmethyl]-2-(2-pyridyl)pyrimidin-4-yl]-dimethyl-amine hydrate Formula: C18H19ClN4O2S MolecularWeight: 390.88706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)CS(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=N3.O

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)CS(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=N3.O

InChI

InChI=1S/C18H17ClN4OS.H2O/c1-23(2)17-11-14(12-25(24)15-8-6-13(19)7-9-15)21-18(22-17)16-5-3-4-10-20-16;/h3-11H,12H2,1-2H3;1H2