methyl 4-[2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-[4-azanyl-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetyl]oxymethyl]benzoate CAS Name: 4-[[2-[[4-amino-5-[(4-fluoroanilino)-oxomethyl]-2-pyrimidinyl]thio]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]sulfanylacetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[[4-amino-5-[(4-fluorophenyl)carbamoyl]pyrimidin-2-yl]thio]acetyl]oxymethyl]benzoic acid methyl ester Formula: C22H19FN4O5S MolecularWeight: 470.473463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)CSC2=NC=C(C(=N2)N)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)CSC2=NC=C(C(=N2)N)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H19FN4O5S/c1-31-21(30)14-4-2-13(3-5-14)11-32-18(28)12-33-22-25-10-17(19(24)27-22)20(29)26-16-8-6-15(23)7-9-16/h2-10H,11-12H2,1H3,(H,26,29)(H2,24,25,27)