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

Systemtic Name: 2-[5-cyano-2-morpholin-4-yl-6-(phenylmethylsulfanyl)pyrimidin-4-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-(6-benzylsulfanyl-5-cyano-2-morpholino-pyrimidin-4-yl)sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[5-cyano-2-(4-morpholinyl)-6-(phenylmethylthio)-4-pyrimidinyl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-(6-benzylsulfanyl-5-cyano-2-morpholin-4-ylpyrimidin-4-yl)sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[6-(benzylthio)-5-cyano-2-morpholino-pyrimidin-4-yl]thio]-N-(p-tolyl)acetamide Formula: C25H25N5O2S2 MolecularWeight: 491.6283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2C#N)SCC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC(=C2C#N)SCC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C25H25N5O2S2/c1-18-7-9-20(10-8-18)27-22(31)17-34-24-21(15-26)23(33-16-19-5-3-2-4-6-19)28-25(29-24)30-11-13-32-14-12-30/h2-10H,11-14,16-17H2,1H3,(H,27,31)