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

Systemtic Name: 2-[4-[(3,4,5-trimethoxyphenyl)amino]quinazolin-2-yl]sulfanylethanenitrile Openeye Name: 2-[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanylacetonitrile CAS Name: 2-[[4-(3,4,5-trimethoxyanilino)-2-quinazolinyl]thio]acetonitrile IUPAC Name: 2-[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-(3,4,5-trimethoxyanilino)quinazolin-2-yl]thio]acetonitrile Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC(=NC3=CC=CC=C32)SCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC(=NC3=CC=CC=C32)SCC#N

InChI

InChI=1S/C19H18N4O3S/c1-24-15-10-12(11-16(25-2)17(15)26-3)21-18-13-6-4-5-7-14(13)22-19(23-18)27-9-8-20/h4-7,10-11H,9H2,1-3H3,(H,21,22,23)