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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-fluorophenyl)methyl]-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-fluorophenyl)methyl]-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-fluorophenyl)methyl]-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide Traditional Name: N-(4-fluorobenzyl)-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C21H19FN4O3 MolecularWeight: 394.398963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCC2=CC=C(C=C2)F)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCC2=CC=C(C=C2)F)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19FN4O3/c1-13-17(20(27)23-9-14-2-5-16(22)6-3-14)11-25-21(26-13)24-10-15-4-7-18-19(8-15)29-12-28-18/h2-8,11H,9-10,12H2,1H3,(H,23,27)(H,24,25,26)