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

Systemtic Name: N-(2-adamantyl)-4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxamide Openeye Name: N-(2-adamantyl)-4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxamide CAS Name: N-(2-adamantyl)-4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxamide IUPAC Name: N-(2-adamantyl)-4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxamide Traditional Name: N-(2-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)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

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