N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[[4-(methylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-(methylamino)quinazolin-2-yl]thio]-N-p-phenetyl-acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC

InChI

InChI=1S/C22H23N5O2S/c1-3-29-17-11-9-16(10-12-17)27(14-6-13-23)20(28)15-30-22-25-19-8-5-4-7-18(19)21(24-2)26-22/h4-5,7-12H,3,6,14-15H2,1-2H3,(H,24,25,26)