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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-4-methylpyrimidine-5-carboxamide Traditional Name: N-benzyl-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3/c1-14-17(20(26)22-10-15-5-3-2-4-6-15)12-24-21(25-14)23-11-16-7-8-18-19(9-16)28-13-27-18/h2-9,12H,10-11,13H2,1H3,(H,22,26)(H,23,24,25)