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

Systemtic Name: ethyl 4-[2-[4-chloranyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-chloro-6-[4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-chloro-6-(4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-chloro-6-(4-propionylpiperazino)pyrimidin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29ClN6O4S MolecularWeight: 485.00006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(=O)OCC)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C(=O)OCC)Cl

InChI

InChI=1S/C20H29ClN6O4S/c1-3-17(28)25-7-5-24(6-8-25)16-13-15(21)22-19(23-16)32-14-18(29)26-9-11-27(12-10-26)20(30)31-4-2/h13H,3-12,14H2,1-2H3