methyl 6-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[(4,6-dimethyl-2-pyrimidinyl)hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(4,6-dimethylpyrimidin-2-yl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H23N5O2S MolecularWeight: 325.42972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNC(=S)NCCCCCC(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NNC(=S)NCCCCCC(=O)OC)C

InChI

InChI=1S/C14H23N5O2S/c1-10-9-11(2)17-13(16-10)18-19-14(22)15-8-6-4-5-7-12(20)21-3/h9H,4-8H2,1-3H3,(H2,15,19,22)(H,16,17,18)