methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4,6-bis(1-piperidyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4,6-bis(1-piperidinyl)-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4,6-di(piperidin-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[(4,6-dipiperidinopyrimidin-2-yl)thio]acetic acid methyl ester Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=CC(=N1)N2CCCCC2)N3CCCCC3

Isomeric SMILES

COC(=O)CSC1=NC(=CC(=N1)N2CCCCC2)N3CCCCC3

InChI

InChI=1S/C17H26N4O2S/c1-23-16(22)13-24-17-18-14(20-8-4-2-5-9-20)12-15(19-17)21-10-6-3-7-11-21/h12H,2-11,13H2,1H3