3-[[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phenyl]amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[2-oxidanyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-phenyl]amino]-4-phenylazanyl-cyclobut-3-ene-1,2-dione Openeye Name: 3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-anilino-4-[2-hydroxy-3-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-anilino-4-[2-hydroxy-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-anilino-4-[2-hydroxy-3-[4-(2-pyrimidyl)piperazine-1-carbonyl]anilino]cyclobut-3-ene-1,2-quinone Formula: C25H22N6O4 MolecularWeight: 470.47998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C(=CC=C3)NC4=C(C(=O)C4=O)NC5=CC=CC=C5)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=C(C(=CC=C3)NC4=C(C(=O)C4=O)NC5=CC=CC=C5)O

InChI

InChI=1S/C25H22N6O4/c32-21-17(24(35)30-12-14-31(15-13-30)25-26-10-5-11-27-25)8-4-9-18(21)29-20-19(22(33)23(20)34)28-16-6-2-1-3-7-16/h1-11,28-29,32H,12-15H2