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

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[4-(1-hydroxyethyl)phenyl]methyl]pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[4-(1-hydroxyethyl)phenyl]methyl]pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-N-[[4-(1-hydroxyethyl)phenyl]methyl]pyrimidine-5-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-N-[4-(1-hydroxyethyl)benzyl]pyrimidine-5-carboxamide Formula: C21H19N3O5 MolecularWeight: 393.39266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5/c1-13(25)15-4-2-14(3-5-15)9-23-20(26)17-10-22-11-24-21(17)29-16-6-7-18-19(8-16)28-12-27-18/h2-8,10-11,13,25H,9,12H2,1H3,(H,23,26)