N-(1-adamantyl)-4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxamide

Systemtic Name: N-(1-adamantyl)-4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxamide Openeye Name: N-(1-adamantyl)-4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxamide CAS Name: N-(1-adamantyl)-4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxamide IUPAC Name: N-(1-adamantyl)-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide Traditional Name: N-(1-adamantyl)-4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H25N3OS2/c1-12-17(20(26-2)23-18(22-12)16-4-3-5-27-16)19(25)24-21-9-13-6-14(10-21)8-15(7-13)11-21/h3-5,13-15H,6-11H2,1-2H3,(H,24,25)