methyl 4-[2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(1-piperidyl)pyrimidin-4-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[6-(1-piperidinyl)-4-pyrimidinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(6-piperidin-1-ylpyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(6-piperidinopyrimidin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)N3CCCCC3

InChI

InChI=1S/C19H22N4O3S/c1-26-19(25)14-5-7-15(8-6-14)22-17(24)12-27-18-11-16(20-13-21-18)23-9-3-2-4-10-23/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,22,24)