(5E)-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

Systemtic Name: (5E)-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione Openeye Name: (5E)-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-6-yl]methylene]thiazolidine-2,4-dione CAS Name: (5E)-5-[[4-[4-(2-pyrimidinyl)-1-piperazinyl]-6-quinazolinyl]methylidene]thiazolidine-2,4-dione IUPAC Name: (5E)-5-[[4-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione Traditional Name: (5E)-5-[[4-[4-(2-pyrimidyl)piperazino]quinazolin-6-yl]methylene]thiazolidine-2,4-quinone Formula: C20H17N7O2S MolecularWeight: 419.45968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C=C(C=C3)C=C4C(=O)NC(=O)S4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C=C(C=C3)/C=C/4\C(=O)NC(=O)S4)C5=NC=CC=N5

InChI

InChI=1S/C20H17N7O2S/c28-18-16(30-20(29)25-18)11-13-2-3-15-14(10-13)17(24-12-23-15)26-6-8-27(9-7-26)19-21-4-1-5-22-19/h1-5,10-12H,6-9H2,(H,25,28,29)/b16-11+