2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-[(3,5-dimethoxyphenyl)amino]quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(3,5-dimethoxyanilino)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-(3,5-dimethoxyanilino)quinazolin-2-yl]thio]acetonitrile Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC#N)OC

InChI

InChI=1S/C18H16N4O2S/c1-23-13-9-12(10-14(11-13)24-2)20-17-15-5-3-4-6-16(15)21-18(22-17)25-8-7-19/h3-6,9-11H,8H2,1-2H3,(H,20,21,22)