methyl 2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-5-morpholin-4-yl-benzoate

Systemtic Name: methyl 2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-5-morpholin-4-yl-benzoate Openeye Name: methyl 2-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-5-morpholino-benzoate CAS Name: 2-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-5-(4-morpholinyl)benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-5-morpholin-4-ylbenzoate Traditional Name: 2-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]-5-morpholino-benzoic acid methyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C22H28N4O4S/c1-14-17(15(2)24-22(23-14)31-4)6-8-20(27)25-19-7-5-16(13-18(19)21(28)29-3)26-9-11-30-12-10-26/h5,7,13H,6,8-12H2,1-4H3,(H,25,27)