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

Systemtic Name: 6-bromanyl-2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-quinazolin-4-one Openeye Name: 6-bromo-2-[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-ethyl-quinazolin-4-one CAS Name: 6-bromo-2-[[2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone IUPAC Name: 6-bromo-2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one Traditional Name: 6-bromo-2-[[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-ethyl-quinazolin-4-one Formula: C21H22BrN3O2S MolecularWeight: 460.38728

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)C3=C(N(C(=C3)C)C4CC4)C

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)C3=C(N(C(=C3)C)C4CC4)C

InChI

InChI=1S/C21H22BrN3O2S/c1-4-24-20(27)17-10-14(22)5-8-18(17)23-21(24)28-11-19(26)16-9-12(2)25(13(16)3)15-6-7-15/h5,8-10,15H,4,6-7,11H2,1-3H3