N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyladamantane-1-carbohydrazide

Systemtic Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonyladamantane-1-carbohydrazide Openeye Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]adamantane-1-carbohydrazide CAS Name: N'-[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]adamantane-1-carbohydrazide Traditional Name: N'-[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]adamantane-1-carbohydrazide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

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