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

Systemtic Name: 3-[6-oxidanylidene-6-(4-pyridin-4-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-oxo-6-[4-(4-pyridyl)piperazin-1-yl]hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-oxo-6-(4-pyridin-4-yl-1-piperazinyl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-oxo-6-(4-pyridin-4-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-[4-(4-pyridyl)piperazino]hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H27N5O2S/c29-21(27-16-14-26(15-17-27)18-9-11-24-12-10-18)8-2-1-5-13-28-22(30)19-6-3-4-7-20(19)25-23(28)31/h3-4,6-7,9-12H,1-2,5,8,13-17H2,(H,25,31)