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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-chlorophenyl)methyl]-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-chlorophenyl)methyl]-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-chlorophenyl)methyl]-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-[(2-chlorophenyl)methyl]-4-methylpyrimidine-5-carboxamide Traditional Name: N-(2-chlorobenzyl)-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C21H19ClN4O3 MolecularWeight: 410.85356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2Cl)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2Cl)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19ClN4O3/c1-13-16(20(27)23-10-15-4-2-3-5-17(15)22)11-25-21(26-13)24-9-14-6-7-18-19(8-14)29-12-28-18/h2-8,11H,9-10,12H2,1H3,(H,23,27)(H,24,25,26)