(E)-3-[2-[(3-methylphenyl)amino]pyrimidin-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-[(3-methylphenyl)amino]pyrimidin-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(3-methylanilino)pyrimidin-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(3-methylanilino)-5-pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(3-methylanilino)pyrimidin-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(m-toluidino)pyrimidin-5-yl]acrylic acid Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=C(C=N2)C=CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C14H13N3O2/c1-10-3-2-4-12(7-10)17-14-15-8-11(9-16-14)5-6-13(18)19/h2-9H,1H3,(H,18,19)(H,15,16,17)/b6-5+