methyl 3-[[4-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]benzoate CAS Name: 3-[[[4-[[[4,5-dimethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]benzoate Traditional Name: 3-[[4-[[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]benzoyl]amino]benzoic acid methyl ester Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCOCC2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCOCC2)SCC3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(=O)OC)C

InChI

InChI=1S/C26H28N4O4S/c1-17-18(2)27-26(29-23(17)30-11-13-34-14-12-30)35-16-19-7-9-20(10-8-19)24(31)28-22-6-4-5-21(15-22)25(32)33-3/h4-10,15H,11-14,16H2,1-3H3,(H,28,31)