N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-bromanyl-ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-bromanyl-ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-bromo-acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-bromoacetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-bromoacetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-bromo-acetamide Formula: C16H18BrN5O2 MolecularWeight: 392.25042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CBr)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CBr)C2=CC=CC=C2

InChI

InChI=1S/C16H18BrN5O2/c1-11(23)18-7-8-19-13-9-14(20-15(24)10-17)22-16(21-13)12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,18,23)(H2,19,20,21,22,24)