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

Systemtic Name: 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 2-[[2-(4-ethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-3-isopentyl-quinazolin-4-one CAS Name: 2-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 3-isoamyl-2-[(5-methyl-2-p-phenetyl-oxazol-4-yl)methylthio]quinazolin-4-one Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CSC3=NC4=CC=CC=C4C(=O)N3CCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)CSC3=NC4=CC=CC=C4C(=O)N3CCC(C)C

InChI

InChI=1S/C26H29N3O3S/c1-5-31-20-12-10-19(11-13-20)24-27-23(18(4)32-24)16-33-26-28-22-9-7-6-8-21(22)25(30)29(26)15-14-17(2)3/h6-13,17H,5,14-16H2,1-4H3