2-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-methoxyphenyl)methyl]-4-methyl-pyrimidine-5-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-methoxyphenyl)methyl]-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-methoxyphenyl)methyl]-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-methoxyphenyl)methyl]-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide Traditional Name: 4-methyl-N-o-anisyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2OC)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2OC)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N4O4/c1-14-17(21(27)23-11-16-5-3-4-6-18(16)28-2)12-25-22(26-14)24-10-15-7-8-19-20(9-15)30-13-29-19/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)(H,24,25,26)