ethyl 1-[4-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-[[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate CAS Name: 1-[[4-[[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-[[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]methyl]benzoyl]nipecotic acid ethyl ester Formula: C26H35ClN4O3S MolecularWeight: 519.0991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC(C3)C(=O)OCC)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N3CCCC(C3)C(=O)OCC)Cl

InChI

InChI=1S/C26H35ClN4O3S/c1-4-13-30(14-5-2)23-16-22(27)28-26(29-23)35-18-19-9-11-20(12-10-19)24(32)31-15-7-8-21(17-31)25(33)34-6-3/h9-12,16,21H,4-8,13-15,17-18H2,1-3H3