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

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(4-chloranyl-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]prop-2-enoyl]amino]acetic acid CAS Name: 2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-2-pyrimidinyl)amino]-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(4-chloro-6-methylpyrimidin-2-yl)amino]prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[(4-chloro-6-methyl-pyrimidin-2-yl)amino]acryloyl]amino]acetic acid Formula: C17H16ClN5O4 MolecularWeight: 389.79304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC=C(C(=O)NCC(=O)O)NC(=O)C2=CC=CC=C2)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N/C=C(/C(=O)NCC(=O)O)\NC(=O)C2=CC=CC=C2)Cl

InChI

InChI=1S/C17H16ClN5O4/c1-10-7-13(18)23-17(21-10)20-8-12(16(27)19-9-14(24)25)22-15(26)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,27)(H,22,26)(H,24,25)(H,20,21,23)/b12-8-