6-bromanyl-3-[6-oxidanylidene-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-[6-oxidanylidene-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-bromo-3-[6-oxo-6-[4-(2-pyridyl)piperazin-1-yl]hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-bromo-3-[6-oxo-6-[4-(2-pyridinyl)-1-piperazinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-bromo-3-[6-oxo-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 6-bromo-3-[6-keto-6-[4-(2-pyridyl)piperazino]hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H26BrN5O2S MolecularWeight: 516.45384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C23H26BrN5O2S/c24-17-8-9-19-18(16-17)22(31)29(23(32)26-19)11-5-1-2-7-21(30)28-14-12-27(13-15-28)20-6-3-4-10-25-20/h3-4,6,8-10,16H,1-2,5,7,11-15H2,(H,26,32)