methyl 4-[2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(2,6-dimethyl-4-morpholinyl)-4-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[6-(2,6-dimethylmorpholin-4-yl)pyrimidin-4-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(2,6-dimethylmorpholino)pyrimidin-4-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1CN(CC(O1)C)C2=CC(=NC=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H24N4O4S/c1-13-9-24(10-14(2)28-13)17-8-19(22-12-21-17)29-11-18(25)23-16-6-4-15(5-7-16)20(26)27-3/h4-8,12-14H,9-11H2,1-3H3,(H,23,25)