4-(1,3-benzodioxol-5-yloxy)-N-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[4-(1-hydroxy-1-methyl-ethyl)phenyl]methyl]pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyrimidine-5-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-N-[4-(1-hydroxy-1-methyl-ethyl)benzyl]pyrimidine-5-carboxamide Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)CNC(=O)C2=CN=CN=C2OC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)CNC(=O)C2=CN=CN=C2OC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H21N3O5/c1-22(2,27)15-5-3-14(4-6-15)10-24-20(26)17-11-23-12-25-21(17)30-16-7-8-18-19(9-16)29-13-28-18/h3-9,11-12,27H,10,13H2,1-2H3,(H,24,26)