ethyl 4-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C20H31N5O4S MolecularWeight: 437.55624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C20H31N5O4S/c1-4-29-20(28)25-10-7-16(8-11-25)24-17(26)6-5-9-21-18(27)13-30-19-22-14(2)12-15(3)23-19/h12,16H,4-11,13H2,1-3H3,(H,21,27)(H,24,26)