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

Systemtic Name: 2-[3-[4-(methylamino)quinazolin-2-yl]sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(methylamino)quinazolin-2-yl]sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[[4-(methylamino)-2-quinazolinyl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(methylamino)quinazolin-2-yl]sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[[4-(methylamino)quinazolin-2-yl]thio]propyl]isoindoline-1,3-quinone Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=CC=CC=C21)SCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CNC1=NC(=NC2=CC=CC=C21)SCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H18N4O2S/c1-21-17-15-9-4-5-10-16(15)22-20(23-17)27-12-6-11-24-18(25)13-7-2-3-8-14(13)19(24)26/h2-5,7-10H,6,11-12H2,1H3,(H,21,22,23)