N-[4-(1-adamantyl)phenyl]-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[(4-amino-5-cyano-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CSC5=NC=C(C(=N5)N)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)CSC5=NC=C(C(=N5)N)C#N

InChI

InChI=1S/C23H25N5OS/c24-11-17-12-26-22(28-21(17)25)30-13-20(29)27-19-3-1-18(2-4-19)23-8-14-5-15(9-23)7-16(6-14)10-23/h1-4,12,14-16H,5-10,13H2,(H,27,29)(H2,25,26,28)