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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N4O3/c1-13-5-3-4-6-17(13)25-20(26)16-11-23-21(24-14(16)2)22-10-15-7-8-18-19(9-15)28-12-27-18/h3-9,11H,10,12H2,1-2H3,(H,25,26)(H,22,23,24)