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

Systemtic Name: ethyl 4-[2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H26ClN5O3S MolecularWeight: 415.93804

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)OCC)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)OCC)Cl

InChI

InChI=1S/C17H26ClN5O3S/c1-4-21(5-2)14-11-13(18)19-16(20-14)27-12-15(24)22-7-9-23(10-8-22)17(25)26-6-3/h11H,4-10,12H2,1-3H3