6-bromanyl-3-ethyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 6-bromanyl-3-ethyl-2-[(4-pyrrolidin-1-ylcarbonylphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 6-bromo-3-ethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 6-bromo-3-ethyl-2-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylthio]-4-quinazolinone IUPAC Name: 6-bromo-3-ethyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 6-bromo-3-ethyl-2-[[4-(pyrrolidine-1-carbonyl)benzyl]thio]quinazolin-4-one Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H22BrN3O2S/c1-2-26-21(28)18-13-17(23)9-10-19(18)24-22(26)29-14-15-5-7-16(8-6-15)20(27)25-11-3-4-12-25/h5-10,13H,2-4,11-12,14H2,1H3