3-(3-morpholin-4-ium-4-ylpropyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[3-(4-morpholin-4-iumyl)propyl]-2-[[4-(1-pyrazolyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-morpholin-4-ium-4-ylpropyl)-2-[(4-pyrazol-1-ylbenzyl)thio]quinazolin-4-one Formula: C25H28N5O2S+ MolecularWeight: 462.58712

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C25H27N5O2S/c31-24-22-5-1-2-6-23(22)27-25(29(24)13-4-12-28-15-17-32-18-16-28)33-19-20-7-9-21(10-8-20)30-14-3-11-26-30/h1-3,5-11,14H,4,12-13,15-19H2/p+1