N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-5-chloro-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-5-chloro-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-5-chloro-2-(methylthio)pyrimidine-4-carboxamide Formula: C19H21ClN4OS2 MolecularWeight: 420.97924

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4)Cl

InChI

InChI=1S/C19H21ClN4OS2/c1-26-17-21-8-13(20)15(23-17)16(25)24-18-22-14(9-27-18)19-5-10-2-11(6-19)4-12(3-10)7-19/h8-12H,2-7H2,1H3,(H,22,24,25)