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

Systemtic Name: 6-bromanyl-2-[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 6-bromo-2-[2-(2,5-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 6-bromo-2-[[2-(2,5-dimethoxyphenyl)-2-oxoethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 6-bromo-2-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 6-bromo-2-[[2-(2,5-dimethoxyphenyl)-2-keto-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O4S/c1-4-9-24-20(26)15-10-13(22)5-7-17(15)23-21(24)29-12-18(25)16-11-14(27-2)6-8-19(16)28-3/h5-8,10-11H,4,9,12H2,1-3H3