methyl 6-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]hexanoate

Systemtic Name: methyl 6-[(4-pyrimidin-2-ylpiperazin-1-yl)carbothioylamino]hexanoate Openeye Name: methyl 6-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]hexanoate CAS Name: 6-[[[4-(2-pyrimidinyl)-1-piperazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4-pyrimidin-2-ylpiperazine-1-carbothioyl)amino]hexanoate Traditional Name: 6-[[4-(2-pyrimidyl)piperazine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C16H25N5O2S MolecularWeight: 351.467

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C16H25N5O2S/c1-23-14(22)6-3-2-4-7-19-16(24)21-12-10-20(11-13-21)15-17-8-5-9-18-15/h5,8-9H,2-4,6-7,10-13H2,1H3,(H,19,24)