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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(3-methoxyphenyl)methyl]-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(3-methoxyphenyl)methyl]-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(3-methoxyphenyl)methyl]-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide Traditional Name: N-m-anisyl-4-methyl-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=C2)OC)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCC2=CC(=CC=C2)OC)NCC3=CC4=C(C=C3)OCO4

InChI

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