2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]thio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[[2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl]thio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)Br

InChI

InChI=1S/C20H19BrN2O4S/c1-27-18-8-7-13(11-15(18)21)17(25)12-28-20-22-16-6-3-2-5-14(16)19(26)23(20)9-4-10-24/h2-3,5-8,11,24H,4,9-10,12H2,1H3