2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 3-(2-isopropylphenyl)-2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]thio]-3-(2-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thio]-3-o-cumenyl-quinazolin-4-one Formula: C28H30N5O2S+ MolecularWeight: 500.6351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C28H29N5O2S/c1-20(2)21-9-4-6-12-24(21)33-27(35)22-10-3-5-11-23(22)30-28(33)36-19-26(34)32-17-15-31(16-18-32)25-13-7-8-14-29-25/h3-14,20H,15-19H2,1-2H3/p+1