2-[4-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]butyl]isoindoline-1,3-quinone Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H22ClN3O4S/c1-31-12-11-27-22(30)18-9-8-15(24)14-19(18)25-23(27)32-13-5-4-10-26-20(28)16-6-2-3-7-17(16)21(26)29/h2-3,6-9,14H,4-5,10-13H2,1H3