(E)-4-[4-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]phenyl]but-3-enoic acid

Systemtic Name: (E)-4-[4-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]phenyl]but-3-enoic acid Openeye Name: (E)-4-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]phenyl]but-3-enoic acid CAS Name: (E)-4-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]phenyl]-3-butenoic acid IUPAC Name: (E)-4-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]phenyl]but-3-enoic acid Traditional Name: (E)-4-[4-[(6-keto-1H-pyrimidin-2-yl)amino]phenyl]but-3-enoic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CCC(=O)O)NC2=NC=CC(=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3/c18-12-8-9-15-14(17-12)16-11-6-4-10(5-7-11)2-1-3-13(19)20/h1-2,4-9H,3H2,(H,19,20)(H2,15,16,17,18)/b2-1+