6-bromanyl-2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[2-oxidanylidene-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 6-bromo-2-[2-oxo-2-[2-(2-thienyl)pyrrolidin-1-yl]ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 6-bromo-2-[[2-oxo-2-(2-thiophen-2-yl-1-pyrrolidinyl)ethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 6-bromo-2-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 6-bromo-2-[[2-keto-2-[2-(2-thienyl)pyrrolidino]ethyl]thio]-3-propyl-quinazolin-4-one Formula: C21H22BrN3O2S2 MolecularWeight: 492.45228

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C21H22BrN3O2S2/c1-2-9-25-20(27)15-12-14(22)7-8-16(15)23-21(25)29-13-19(26)24-10-3-5-17(24)18-6-4-11-28-18/h4,6-8,11-12,17H,2-3,5,9-10,13H2,1H3