N-[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]adamantane-1-carboxamide Openeye Name: N-[3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]adamantane-1-carboxamide Traditional Name: N-[3-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]phenyl]adamantane-1-carboxamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C25H30N4O2S/c1-15-6-16(2)27-24(26-15)32-14-22(30)28-20-4-3-5-21(10-20)29-23(31)25-11-17-7-18(12-25)9-19(8-17)13-25/h3-6,10,17-19H,7-9,11-14H2,1-2H3,(H,28,30)(H,29,31)