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

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-bromophenyl)-4-methyl-pyrimidine-5-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-bromophenyl)-4-methyl-pyrimidine-5-carboxamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-bromophenyl)-4-methyl-5-pyrimidinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-bromophenyl)-4-methylpyrimidine-5-carboxamide Traditional Name: N-(3-bromophenyl)-4-methyl-2-(piperonylamino)pyrimidine-5-carboxamide Formula: C20H17BrN4O3 MolecularWeight: 441.27798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(=O)NC2=CC(=CC=C2)Br)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=NC(=NC=C1C(=O)NC2=CC(=CC=C2)Br)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17BrN4O3/c1-12-16(19(26)25-15-4-2-3-14(21)8-15)10-23-20(24-12)22-9-13-5-6-17-18(7-13)28-11-27-17/h2-8,10H,9,11H2,1H3,(H,25,26)(H,22,23,24)