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

Systemtic Name: ethyl 4-[2-(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H25BrN4O4S MolecularWeight: 497.4059

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H25BrN4O4S/c1-3-7-25-18(27)15-12-14(21)5-6-16(15)22-19(25)30-13-17(26)23-8-10-24(11-9-23)20(28)29-4-2/h5-6,12H,3-4,7-11,13H2,1-2H3