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

Systemtic Name: 2-[(7-chloranyl-3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(7-chloro-3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(7-chloro-3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(7-chloro-3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCC(C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H18ClN3O3S/c23-13-9-10-17-18(11-13)24-22(26(21(17)29)14-5-1-2-6-14)30-12-25-19(27)15-7-3-4-8-16(15)20(25)28/h3-4,7-11,14H,1-2,5-6,12H2