ethyl 1-[4-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]benzoyl]isonipecotic acid ethyl ester Formula: C26H35ClN4O3S MolecularWeight: 519.0991

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OCC)Cl

InChI

InChI=1S/C26H35ClN4O3S/c1-4-13-30(14-5-2)23-17-22(27)28-26(29-23)35-18-19-7-9-20(10-8-19)24(32)31-15-11-21(12-16-31)25(33)34-6-3/h7-10,17,21H,4-6,11-16,18H2,1-3H3