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

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one Openeye Name: 3-[[4-(4-isopropylphenyl)thiazol-2-yl]methyl]-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one CAS Name: 2-(4-morpholin-4-iumylmethyl)-3-[[4-(4-propan-2-ylphenyl)-2-thiazolyl]methyl]-4-quinazolinone IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-3-[(4-p-cumenylthiazol-2-yl)methyl]quinazolin-4-one Formula: C26H29N4O2S+ MolecularWeight: 461.59906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O2S/c1-18(2)19-7-9-20(10-8-19)23-17-33-25(28-23)16-30-24(15-29-11-13-32-14-12-29)27-22-6-4-3-5-21(22)26(30)31/h3-10,17-18H,11-16H2,1-2H3/p+1