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

Systemtic Name: 4-(3-chloranylphenoxy)-N-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: 4-(3-chlorophenoxy)-N-[[4-(1-hydroxy-1-methyl-ethyl)phenyl]methyl]pyrimidine-5-carboxamide CAS Name: 4-(3-chlorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 4-(3-chlorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide Traditional Name: 4-(3-chlorophenoxy)-N-[4-(1-hydroxy-1-methyl-ethyl)benzyl]pyrimidine-5-carboxamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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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)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3/c1-21(2,27)15-8-6-14(7-9-15)11-24-19(26)18-12-23-13-25-20(18)28-17-5-3-4-16(22)10-17/h3-10,12-13,27H,11H2,1-2H3,(H,24,26)