N-(3-chloranyl-4-methoxy-phenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butyramide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)OC)Cl)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22ClN3O2S/c1-4-20(22(27)26-16-10-11-19(28-3)17(23)12-16)29-21-13-18(24-14(2)25-21)15-8-6-5-7-9-15/h5-13,20H,4H2,1-3H3,(H,26,27)