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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-(p-tolylmethyl)pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[(4-methylphenyl)methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-4-methyl-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide Traditional Name: 4-methyl-N-(4-methylbenzyl)-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c1-14-3-5-16(6-4-14)10-23-21(27)18-12-25-22(26-15(18)2)24-11-17-7-8-19-20(9-17)29-13-28-19/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)(H,24,25,26)