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

Systemtic Name: 2-[[2-(4-ethoxy-3-methoxy-phenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[[2-(4-ethoxy-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]quinazolin-4-one CAS Name: 2-[[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-benzyl-2-[[2-(4-ethoxy-3-methoxy-phenyl)-5-methyl-oxazol-4-yl]methylthio]quinazolin-4-one Formula: C29H27N3O4S MolecularWeight: 513.60738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=C(O2)C)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=C(O2)C)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)OC

InChI

InChI=1S/C29H27N3O4S/c1-4-35-25-15-14-21(16-26(25)34-3)27-30-24(19(2)36-27)18-37-29-31-23-13-9-8-12-22(23)28(33)32(29)17-20-10-6-5-7-11-20/h5-16H,4,17-18H2,1-3H3