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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=C(C=N2)C=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=C(C=N2)/C=C/C(=O)O

InChI

InChI=1S/C14H13N3O2/c18-13(19)7-6-12-9-16-14(17-10-12)15-8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,18,19)(H,15,16,17)/b7-6+