2-[5-cyano-2-morpholin-4-yl-6-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[5-cyano-2-morpholin-4-yl-6-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-(6-benzylsulfanyl-5-cyano-2-morpholino-pyrimidin-4-yl)sulfanyl-N-phenyl-acetamide CAS Name: 2-[[5-cyano-2-(4-morpholinyl)-6-(phenylmethylthio)-4-pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-(6-benzylsulfanyl-5-cyano-2-morpholin-4-ylpyrimidin-4-yl)sulfanyl-N-phenylacetamide Traditional Name: 2-[[6-(benzylthio)-5-cyano-2-morpholino-pyrimidin-4-yl]thio]-N-phenyl-acetamide Formula: C24H23N5O2S2 MolecularWeight: 477.60172

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C(C(=N2)SCC(=O)NC3=CC=CC=C3)C#N)SCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=NC(=C(C(=N2)SCC(=O)NC3=CC=CC=C3)C#N)SCC4=CC=CC=C4

InChI

InChI=1S/C24H23N5O2S2/c25-15-20-22(32-16-18-7-3-1-4-8-18)27-24(29-11-13-31-14-12-29)28-23(20)33-17-21(30)26-19-9-5-2-6-10-19/h1-10H,11-14,16-17H2,(H,26,30)