N-[4-(2-chloranylphenoxy)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[4-(2-chloranylphenoxy)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[4-(2-chlorophenoxy)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[4-(2-chlorophenoxy)phenyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[4-(2-chlorophenoxy)phenyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[4-(2-chlorophenoxy)phenyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-14-18(15(2)25-22(24-14)29-3)12-13-21(27)26-16-8-10-17(11-9-16)28-20-7-5-4-6-19(20)23/h4-11H,12-13H2,1-3H3,(H,26,27)