6-bromanyl-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-3-[(2S)-2-oxidanylpropyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-3-[(2S)-2-oxidanylpropyl]quinazolin-4-one Openeye Name: 6-bromo-3-[(2S)-2-hydroxypropyl]-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-[(2S)-2-hydroxypropyl]-2-[(2-methoxy-5-methylphenyl)methylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-[(2S)-2-hydroxypropyl]-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-[(2S)-2-hydroxypropyl]-2-[(2-methoxy-5-methyl-benzyl)thio]quinazolin-4-one Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2C[C@H](C)O

InChI

InChI=1S/C20H21BrN2O3S/c1-12-4-7-18(26-3)14(8-12)11-27-20-22-17-6-5-15(21)9-16(17)19(25)23(20)10-13(2)24/h4-9,13,24H,10-11H2,1-3H3/t13-/m0/s1