6-bromanyl-2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-quinazolin-4-one Openeye Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-6-bromo-3-ethyl-quinazolin-4-one CAS Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-6-bromo-3-ethyl-4-quinazolinone IUPAC Name: 2-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-6-bromo-3-ethylquinazolin-4-one Traditional Name: 2-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-6-bromo-3-ethyl-quinazolin-4-one Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C20H20BrN3O3S/c1-5-24-19(27)14-8-13(21)6-7-15(14)23-20(24)28-9-16(26)18-10(2)17(12(4)25)11(3)22-18/h6-8,22H,5,9H2,1-4H3