4-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-2-phenyl-pyrimidine-5-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-2-phenyl-pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-yloxy)-N-isobutyl-2-phenyl-pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-N-isobutyl-2-phenyl-pyrimidine-5-carboxamide Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN=C(N=C1OC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CN=C(N=C1OC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4/c1-14(2)11-24-21(26)17-12-23-20(15-6-4-3-5-7-15)25-22(17)29-16-8-9-18-19(10-16)28-13-27-18/h3-10,12,14H,11,13H2,1-2H3,(H,24,26)