ethyl 1-[2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C21H30ClN5O4S MolecularWeight: 484.012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)C(=O)OCC)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCC(CC3)C(=O)OCC)Cl

InChI

InChI=1S/C21H30ClN5O4S/c1-3-18(28)27-11-9-25(10-12-27)17-13-16(22)23-21(24-17)32-14-19(29)26-7-5-15(6-8-26)20(30)31-4-2/h13,15H,3-12,14H2,1-2H3