2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-[(phenylmethyl)amino]-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-(benzylamino)quinazolin-2-yl]thio]acetonitrile Formula: C17H14N4S MolecularWeight: 306.38486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC#N

InChI

InChI=1S/C17H14N4S/c18-10-11-22-17-20-15-9-5-4-8-14(15)16(21-17)19-12-13-6-2-1-3-7-13/h1-9H,11-12H2,(H,19,20,21)