tert-butyl 4-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]hydrazo]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]amino]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H33N5O4S MolecularWeight: 499.62562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3CCN(CC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)C3CCN(CC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H33N5O4S/c1-16-14-17(2)27-23(26-16)35-15-18-6-8-19(9-7-18)21(31)28-29-22(32)20-10-12-30(13-11-20)24(33)34-25(3,4)5/h6-9,14,20H,10-13,15H2,1-5H3,(H,28,31)(H,29,32)