4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzothiazepine-3,5-dione

Systemtic Name: 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzothiazepine-3,5-dione Openeye Name: 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzothiazepine-3,5-dione CAS Name: 4-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,4-benzothiazepine-3,5-dione IUPAC Name: 4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,4-benzothiazepine-3,5-dione Traditional Name: 4-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,4-benzothiazepine-3,5-quinone Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)CSC3=CC=CC=C3C2=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)CSC3=CC=CC=C3C2=O)C4=NC=CC=N4

InChI

InChI=1S/C21H25N5O2S/c27-19-16-29-18-7-2-1-6-17(18)20(28)26(19)11-4-3-10-24-12-14-25(15-13-24)21-22-8-5-9-23-21/h1-2,5-9H,3-4,10-16H2