ethyl 1-[2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C20H31ClN4O3S MolecularWeight: 443.00314

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCCC(C2)C(=O)OCC)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCCC(C2)C(=O)OCC)Cl

InChI

InChI=1S/C20H31ClN4O3S/c1-4-9-24(10-5-2)17-12-16(21)22-20(23-17)29-14-18(26)25-11-7-8-15(13-25)19(27)28-6-3/h12,15H,4-11,13-14H2,1-3H3