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

Systemtic Name: 3-(3-methylbutyl)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-isopentyl-2-[[2-(2-thienyl)oxazol-4-yl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-methylbutyl)-2-[(2-thiophen-2-yl-4-oxazolyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-methylbutyl)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-isoamyl-2-[[2-(2-thienyl)oxazol-4-yl]methylthio]quinazolin-4-one Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H21N3O2S2/c1-14(2)9-10-24-20(25)16-6-3-4-7-17(16)23-21(24)28-13-15-12-26-19(22-15)18-8-5-11-27-18/h3-8,11-12,14H,9-10,13H2,1-2H3