1-[2-[[(Z)-2-benzamido-3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[(Z)-2-benzamido-3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-2-pyrimidinyl)amino]-1-oxoprop-2-enyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[(Z)-2-benzamido-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]prop-2-enoyl]amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]acryloyl]amino]propanoyl]proline Formula: C23H25ClN6O5 MolecularWeight: 500.9348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC=C(C(=O)NC(C)C(=O)N2CCCC2C(=O)O)NC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N/C=C(/C(=O)NC(C)C(=O)N2CCCC2C(=O)O)\NC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H25ClN6O5/c1-13-11-18(24)29-23(26-13)25-12-16(28-19(31)15-7-4-3-5-8-15)20(32)27-14(2)21(33)30-10-6-9-17(30)22(34)35/h3-5,7-8,11-12,14,17H,6,9-10H2,1-2H3,(H,27,32)(H,28,31)(H,34,35)(H,25,26,29)/b16-12-