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

Systemtic Name: 2-[[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(7-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[7-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(7-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18ClN3O3S/c1-12(2)10-24-20(28)16-8-7-13(22)9-17(16)23-21(24)29-11-25-18(26)14-5-3-4-6-15(14)19(25)27/h3-9,12H,10-11H2,1-2H3