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

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-azanyl-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-amino-5-cyano-6-methylsulfanyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[[2-amino-5-cyano-6-(methylthio)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-amino-5-cyano-6-methylsulfanylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[[2-amino-5-cyano-6-(methylthio)pyrimidin-4-yl]thio]acetamide Formula: C20H27N5OS2 MolecularWeight: 417.59128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC(=NC(=C4C#N)SC)N

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CSC4=NC(=NC(=C4C#N)SC)N

InChI

InChI=1S/C20H27N5OS2/c1-11(20-6-12-3-13(7-20)5-14(4-12)8-20)23-16(26)10-28-18-15(9-21)17(27-2)24-19(22)25-18/h11-14H,3-8,10H2,1-2H3,(H,23,26)(H2,22,24,25)/t11-,12?,13?,14?,20?/m1/s1