4-(3-methylsulfanylphenoxy)-N-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide

Systemtic Name: 4-(3-methylsulfanylphenoxy)-N-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: N-[[4-(1-hydroxy-1-methyl-ethyl)phenyl]methyl]-4-(3-methylsulfanylphenoxy)pyrimidine-5-carboxamide CAS Name: N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4-[3-(methylthio)phenoxy]-5-pyrimidinecarboxamide IUPAC Name: N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4-(3-methylsulfanylphenoxy)pyrimidine-5-carboxamide Traditional Name: N-[4-(1-hydroxy-1-methyl-ethyl)benzyl]-4-[3-(methylthio)phenoxy]pyrimidine-5-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)CNC(=O)C2=CN=CN=C2OC3=CC(=CC=C3)SC)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)CNC(=O)C2=CN=CN=C2OC3=CC(=CC=C3)SC)O

InChI

InChI=1S/C22H23N3O3S/c1-22(2,27)16-9-7-15(8-10-16)12-24-20(26)19-13-23-14-25-21(19)28-17-5-4-6-18(11-17)29-3/h4-11,13-14,27H,12H2,1-3H3,(H,24,26)