2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenyl-ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenyl-ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenyl-acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-ethoxyphenyl)-2-phenylacetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-o-phenetyl-2-phenyl-acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C21H19N5O2S/c1-2-28-17-11-7-6-10-16(17)25-20(27)18(14-8-4-3-5-9-14)29-21-24-13-15(12-22)19(23)26-21/h3-11,13,18H,2H2,1H3,(H,25,27)(H2,23,24,26)