2-[4-[4-(methylamino)quinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(methylamino)quinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(methylamino)quinazolin-2-yl]sulfanylbutyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-(methylamino)-2-quinazolinyl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(methylamino)quinazolin-2-yl]sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[[4-(methylamino)quinazolin-2-yl]thio]butyl]isoindoline-1,3-quinone Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H20N4O2S/c1-22-18-16-10-4-5-11-17(16)23-21(24-18)28-13-7-6-12-25-19(26)14-8-2-3-9-15(14)20(25)27/h2-5,8-11H,6-7,12-13H2,1H3,(H,22,23,24)