2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-[2-(3,4-dimethoxyphenyl)ethylamino]quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-(homoveratrylamino)quinazolin-2-yl]thio]acetonitrile Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC#N)OC

InChI

InChI=1S/C20H20N4O2S/c1-25-17-8-7-14(13-18(17)26-2)9-11-22-19-15-5-3-4-6-16(15)23-20(24-19)27-12-10-21/h3-8,13H,9,11-12H2,1-2H3,(H,22,23,24)