(E)-4-[4-(pyrimidin-2-ylamino)phenyl]but-3-enoic acid

Systemtic Name: (E)-4-[4-(pyrimidin-2-ylamino)phenyl]but-3-enoic acid Openeye Name: (E)-4-[4-(pyrimidin-2-ylamino)phenyl]but-3-enoic acid CAS Name: (E)-4-[4-(2-pyrimidinylamino)phenyl]-3-butenoic acid IUPAC Name: (E)-4-[4-(pyrimidin-2-ylamino)phenyl]but-3-enoic acid Traditional Name: (E)-4-[4-(2-pyrimidylamino)phenyl]but-3-enoic acid Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC2=CC=C(C=C2)C=CCC(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NC2=CC=C(C=C2)/C=C/CC(=O)O

InChI

InChI=1S/C14H13N3O2/c18-13(19)4-1-3-11-5-7-12(8-6-11)17-14-15-9-2-10-16-14/h1-3,5-10H,4H2,(H,18,19)(H,15,16,17)/b3-1+