6-bromanyl-3-ethyl-2-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-ethyl-2-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methylsulfanyl]quinazolin-4-one Openeye Name: 2-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methylsulfanyl]-6-bromo-3-ethyl-quinazolin-4-one CAS Name: 6-bromo-3-ethyl-2-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methylthio]-4-quinazolinone IUPAC Name: 2-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methylsulfanyl]-6-bromo-3-ethylquinazolin-4-one Traditional Name: 2-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methylthio]-6-bromo-3-ethyl-quinazolin-4-one Formula: C22H25BrN3O2S+ MolecularWeight: 475.4218

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3C[NH+](CCO3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC[C@@H]3C[NH+](CCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24BrN3O2S/c1-2-26-21(27)19-12-17(23)8-9-20(19)24-22(26)29-15-18-14-25(10-11-28-18)13-16-6-4-3-5-7-16/h3-9,12,18H,2,10-11,13-15H2,1H3/p+1/t18-/m0/s1