8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione

Systemtic Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione Openeye Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione CAS Name: 8-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione IUPAC Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-7,8-dihydrothieno[3,2-c]azepine-4,6-dione Traditional Name: 8-[4-[4-(2-pyrimidyl)piperazino]butyl]-7,8-dihydrothien[3,2-c]azepine-4,6-quinone Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2CC(=O)NC(=O)C3=C2SC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCCCC2CC(=O)NC(=O)C3=C2SC=C3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N5O2S/c26-17-14-15(18-16(5-13-28-18)19(27)23-17)4-1-2-8-24-9-11-25(12-10-24)20-21-6-3-7-22-20/h3,5-7,13,15H,1-2,4,8-12,14H2,(H,23,26,27)