2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClN4O3S/c1-30-13-5-11-27-21(29)18-9-8-16(23)14-19(18)25-22(27)31-15-20(28)26(12-10-24)17-6-3-2-4-7-17/h2-4,6-9,14H,5,11-13,15H2,1H3