1-[2-[6-bromanyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[6-bromanyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[6-bromo-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[6-bromo-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[6-bromo-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[6-bromo-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetyl]isonipecotic acid Formula: C19H22BrN3O5S MolecularWeight: 484.36408

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

COCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H22BrN3O5S/c1-28-9-8-23-17(25)14-10-13(20)2-3-15(14)21-19(23)29-11-16(24)22-6-4-12(5-7-22)18(26)27/h2-3,10,12H,4-9,11H2,1H3,(H,26,27)