6,8-bis(bromanyl)-2-(butan-2-ylsulfanylmethyl)-3-(2-methoxyphenyl)quinazolin-4-one

Systemtic Name: 6,8-bis(bromanyl)-2-(butan-2-ylsulfanylmethyl)-3-(2-methoxyphenyl)quinazolin-4-one Openeye Name: 6,8-dibromo-3-(2-methoxyphenyl)-2-(sec-butylsulfanylmethyl)quinazolin-4-one CAS Name: 6,8-dibromo-2-[(butan-2-ylthio)methyl]-3-(2-methoxyphenyl)-4-quinazolinone IUPAC Name: 6,8-dibromo-2-(butan-2-ylsulfanylmethyl)-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 6,8-dibromo-3-(2-methoxyphenyl)-2-[(sec-butylthio)methyl]quinazolin-4-one Formula: C20H20Br2N2O2S MolecularWeight: 512.258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=NC2=C(C=C(C=C2C(=O)N1C3=CC=CC=C3OC)Br)Br

Isomeric SMILES

CCC(C)SCC1=NC2=C(C=C(C=C2C(=O)N1C3=CC=CC=C3OC)Br)Br

InChI

InChI=1S/C20H20Br2N2O2S/c1-4-12(2)27-11-18-23-19-14(9-13(21)10-15(19)22)20(25)24(18)16-7-5-6-8-17(16)26-3/h5-10,12H,4,11H2,1-3H3