N-[(1S)-1-(1-adamantyl)ethyl]-2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]acetamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)N[C@@H](C)C23CC4CC(C2)CC(C4)C3)C#N

InChI

InChI=1S/C21H28N4OS/c1-12-18(10-22)20(25-14(3)23-12)27-11-19(26)24-13(2)21-7-15-4-16(8-21)6-17(5-15)9-21/h13,15-17H,4-9,11H2,1-3H3,(H,24,26)/t13-,15?,16?,17?,21?/m0/s1