2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-(tetrahydrofuran-2-ylmethyl)quinazolin-4-one CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylthio]-3-(2-oxolanylmethyl)-4-quinazolinone IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)thio]-3-(tetrahydrofurfuryl)quinazolin-4-one Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C21H21BrN2O3S/c1-26-19-9-8-15(22)11-14(19)13-28-21-23-18-7-3-2-6-17(18)20(25)24(21)12-16-5-4-10-27-16/h2-3,6-9,11,16H,4-5,10,12-13H2,1H3