6-bromanyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3-(1-phenylethyl)quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3-(1-phenylethyl)quinazolin-4-one Openeye Name: 6-bromo-2-[(3-methylisoxazol-5-yl)methylsulfanyl]-3-(1-phenylethyl)quinazolin-4-one CAS Name: 6-bromo-2-[(3-methyl-5-isoxazolyl)methylthio]-3-(1-phenylethyl)-4-quinazolinone IUPAC Name: 6-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-3-(1-phenylethyl)quinazolin-4-one Traditional Name: 6-bromo-2-[(3-methylisoxazol-5-yl)methylthio]-3-(1-phenylethyl)quinazolin-4-one Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2C(C)C4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2C(C)C4=CC=CC=C4

InChI

InChI=1S/C21H18BrN3O2S/c1-13-10-17(27-24-13)12-28-21-23-19-9-8-16(22)11-18(19)20(26)25(21)14(2)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3