2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoyl]amino]ethanoic acid

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoyl]amino]ethanoic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoyl]amino]acetic acid CAS Name: 2-[[(Z)-2-benzamido-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoprop-2-enyl]amino]acetic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoyl]amino]acetic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[(4,6-dimethylpyrimidin-2-yl)amino]acryloyl]amino]acetic acid Formula: C18H19N5O4 MolecularWeight: 369.37456

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4/c1-11-8-12(2)22-18(21-11)20-9-14(17(27)19-10-15(24)25)23-16(26)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,19,27)(H,23,26)(H,24,25)(H,20,21,22)/b14-9-