2-[[2-(5-bromanyl-2-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[[2-(5-bromanyl-2-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[[2-(5-bromo-2-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]quinazolin-4-one CAS Name: 2-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[[2-(5-bromo-2-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylthio]quinazolin-4-one Formula: C27H22BrN3O3S MolecularWeight: 548.45088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=C(C=CC(=C2)Br)OC)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(O1)C2=C(C=CC(=C2)Br)OC)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C27H22BrN3O3S/c1-17-23(29-25(34-17)21-14-19(28)12-13-24(21)33-2)16-35-27-30-22-11-7-6-10-20(22)26(32)31(27)15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3