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

Systemtic Name: 3-[6-oxidanylidene-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-oxo-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-oxo-6-[4-(2-pyridin-1-iumyl)-1-piperazinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-oxo-6-(4-pyridin-1-ium-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-(4-pyridin-1-ium-2-ylpiperazino)hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

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