3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one

Systemtic Name: 3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Openeye Name: 3-[[4-(4-tert-butylphenyl)thiazol-2-yl]methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one CAS Name: 3-[[4-(4-tert-butylphenyl)-2-thiazolyl]methyl]-2-(4-morpholin-4-iumylmethyl)-4-quinazolinone IUPAC Name: 3-[[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Traditional Name: 3-[[4-(4-tert-butylphenyl)thiazol-2-yl]methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Formula: C27H31N4O2S+ MolecularWeight: 475.62564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)CN3C(=NC4=CC=CC=C4C3=O)C[NH+]5CCOCC5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)CN3C(=NC4=CC=CC=C4C3=O)C[NH+]5CCOCC5

InChI

InChI=1S/C27H30N4O2S/c1-27(2,3)20-10-8-19(9-11-20)23-18-34-25(29-23)17-31-24(16-30-12-14-33-15-13-30)28-22-7-5-4-6-21(22)26(31)32/h4-11,18H,12-17H2,1-3H3/p+1