ethyl 4-[2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(6-piperidinopyrimidin-4-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC(=C2)N3CCCCC3

InChI

InChI=1S/C18H27N5O3S/c1-2-26-18(25)23-10-8-22(9-11-23)17(24)13-27-16-12-15(19-14-20-16)21-6-4-3-5-7-21/h12,14H,2-11,13H2,1H3