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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCCC2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCCC2=CC=CC=C2)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N4O3/c1-15-18(21(27)23-10-9-16-5-3-2-4-6-16)13-25-22(26-15)24-12-17-7-8-19-20(11-17)29-14-28-19/h2-8,11,13H,9-10,12,14H2,1H3,(H,23,27)(H,24,25,26)