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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

InChI

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