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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,5-dimethylphenyl)-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,5-dimethylphenyl)-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,5-dimethylphenyl)-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3,5-dimethylphenyl)-4-methylpyrimidine-5-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c1-13-6-14(2)8-17(7-13)26-21(27)18-11-24-22(25-15(18)3)23-10-16-4-5-19-20(9-16)29-12-28-19/h4-9,11H,10,12H2,1-3H3,(H,26,27)(H,23,24,25)