4-[[4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[[4-(1-pyrazolyl)phenyl]methylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[(4-pyrazol-1-ylbenzyl)thio]quinazolin-2-yl]methyl]morpholin-4-ium Formula: C23H24N5OS+ MolecularWeight: 418.53456

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C23H23N5OS/c1-2-5-21-20(4-1)23(26-22(25-21)16-27-12-14-29-15-13-27)30-17-18-6-8-19(9-7-18)28-11-3-10-24-28/h1-11H,12-17H2/p+1