N-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[(4,6-dimethyl-2-pyrimidinyl)hydrazo]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[(4,6-dimethylpyrimidin-2-yl)amino]thiocarbamoyl]adamantane-1-carboxamide Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NNC(=S)NC(=O)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C18H25N5OS/c1-10-3-11(2)20-16(19-10)22-23-17(25)21-15(24)18-7-12-4-13(8-18)6-14(5-12)9-18/h3,12-14H,4-9H2,1-2H3,(H,19,20,22)(H2,21,23,24,25)