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

Systemtic Name: 1-[2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]isonipecotic acid Formula: C20H24ClN3O4S MolecularWeight: 437.94026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H24ClN3O4S/c1-12(2)10-24-18(26)15-9-14(21)3-4-16(15)22-20(24)29-11-17(25)23-7-5-13(6-8-23)19(27)28/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,27,28)