N-(1-adamantyl)-2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]acetamide Formula: C18H23N5OS2 MolecularWeight: 389.53812

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=NC(=N1)N)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C#N

Isomeric SMILES

CSC1=C(C(=NC(=N1)N)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C#N

InChI

InChI=1S/C18H23N5OS2/c1-25-15-13(8-19)16(22-17(20)21-15)26-9-14(24)23-18-5-10-2-11(6-18)4-12(3-10)7-18/h10-12H,2-7,9H2,1H3,(H,23,24)(H2,20,21,22)