(E)-4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-enoate Openeye Name: (E)-4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-enoate CAS Name: (E)-4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]-2-butenoate IUPAC Name: (E)-4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-enoate Traditional Name: (E)-4-keto-4-[4-(2-pyrimidyl)piperazino]but-2-enoate Formula: C12H13N4O3- MolecularWeight: 261.25662

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C12H14N4O3/c17-10(2-3-11(18)19)15-6-8-16(9-7-15)12-13-4-1-5-14-12/h1-5H,6-9H2,(H,18,19)/p-1/b3-2+