2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one

Systemtic Name: 2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 3-isopentyl-2-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]quinazolin-4-one CAS Name: 2-[[2-(4-methoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 3-isoamyl-2-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methylthio]quinazolin-4-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CSC3=NC4=CC=CC=C4C(=O)N3CCC(C)C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CSC3=NC4=CC=CC=C4C(=O)N3CCC(C)C

InChI

InChI=1S/C25H27N3O3S/c1-16(2)13-14-28-24(29)20-7-5-6-8-21(20)27-25(28)32-15-22-17(3)31-23(26-22)18-9-11-19(30-4)12-10-18/h5-12,16H,13-15H2,1-4H3