2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-ethanoylphenyl)-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(4-ethanoylphenyl)-4-methyl-pyrimidine-5-carboxamide Openeye Name: N-(4-acetylphenyl)-2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-pyrimidine-5-carboxamide CAS Name: N-(4-acetylphenyl)-2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-5-pyrimidinecarboxamide IUPAC Name: N-(4-acetylphenyl)-2-(1,3-benzodioxol-5-ylmethylamino)-4-methylpyrimidine-5-carboxamide Traditional Name: N-(4-acetylphenyl)-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC2=CC=C(C=C2)C(=O)C)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC2=CC=C(C=C2)C(=O)C)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N4O4/c1-13-18(21(28)26-17-6-4-16(5-7-17)14(2)27)11-24-22(25-13)23-10-15-3-8-19-20(9-15)30-12-29-19/h3-9,11H,10,12H2,1-2H3,(H,26,28)(H,23,24,25)