2-[[(Z)-2-benzamido-3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]hexanoic acid

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]hexanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]hexanoic acid CAS Name: 2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-2-pyrimidinyl)amino]-1-oxoprop-2-enyl]amino]hexanoic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]prop-2-enoyl]amino]hexanoic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]acryloyl]amino]hexanoic acid Formula: C21H24ClN5O4 MolecularWeight: 445.89936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(=CNC1=NC(=CC(=N1)Cl)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)/C(=C/NC1=NC(=CC(=N1)Cl)C)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H24ClN5O4/c1-3-4-10-15(20(30)31)25-19(29)16(26-18(28)14-8-6-5-7-9-14)12-23-21-24-13(2)11-17(22)27-21/h5-9,11-12,15H,3-4,10H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)(H,23,24,27)/b16-12-