ethyl 4-[2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(6-bromanyl-3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(6-bromo-3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(6-bromo-3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-bromo-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-bromo-3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23BrN4O4S MolecularWeight: 483.37932

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C19H23BrN4O4S/c1-3-24-17(26)14-11-13(20)5-6-15(14)21-18(24)29-12-16(25)22-7-9-23(10-8-22)19(27)28-4-2/h5-6,11H,3-4,7-10,12H2,1-2H3