2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-(piperonylamino)quinazolin-2-yl]thio]acetonitrile Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)SCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC(=NC4=CC=CC=C43)SCC#N

InChI

InChI=1S/C18H14N4O2S/c19-7-8-25-18-21-14-4-2-1-3-13(14)17(22-18)20-10-12-5-6-15-16(9-12)24-11-23-15/h1-6,9H,8,10-11H2,(H,20,21,22)