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

Systemtic Name: N-(3-hydroxyphenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(3-hydroxyphenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(3-hydroxyphenyl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(3-hydroxyphenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(3-hydroxyphenyl)-2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butyramide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S/c1-3-19(21(26)24-16-10-7-11-17(25)12-16)27-20-13-18(22-14(2)23-20)15-8-5-4-6-9-15/h4-13,19,25H,3H2,1-2H3,(H,24,26)