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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C2=CN=C(N=C2C)NCC3=CC4=C(C=C3)OCO4

InChI

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