6-bromanyl-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 6-bromo-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 6-bromo-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 6-bromo-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 6-bromo-2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C20H26BrN3O2S MolecularWeight: 452.40834

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CC(CC(C3)C)C

InChI

InChI=1S/C20H26BrN3O2S/c1-4-7-24-19(26)16-9-15(21)5-6-17(16)22-20(24)27-12-18(25)23-10-13(2)8-14(3)11-23/h5-6,9,13-14H,4,7-8,10-12H2,1-3H3