4-[2,5-bis(oxidanylidene)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[2,5-bis(oxidanylidene)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid CAS Name: 4-[2,5-dioxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[2,5-diketo-3-[4-(2-pyrimidyl)piperazino]pyrrolidino]benzoic acid Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=NC=CC=N4

InChI

InChI=1S/C19H19N5O4/c25-16-12-15(17(26)24(16)14-4-2-13(3-5-14)18(27)28)22-8-10-23(11-9-22)19-20-6-1-7-21-19/h1-7,15H,8-12H2,(H,27,28)