N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-butanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-butanamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]butanamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutanamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]butyramide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)SC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)SC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C18H22ClN3O3S/c1-6-16(26-18-20-10(2)7-11(3)21-18)17(23)22-13-8-12(19)14(24-4)9-15(13)25-5/h7-9,16H,6H2,1-5H3,(H,22,23)