2-[6-ethyl-2-methylsulfanyl-5-oxamoyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[6-ethyl-2-methylsulfanyl-5-oxamoyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyethanoic acid Openeye Name: 2-(7-benzyl-6-ethyl-2-methylsulfanyl-5-oxamoyl-pyrrolo[2,3-d]pyrimidin-4-yl)oxyacetic acid CAS Name: 2-[[6-ethyl-2-(methylthio)-5-oxamoyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidinyl]oxy]acetic acid IUPAC Name: 2-(7-benzyl-6-ethyl-2-methylsulfanyl-5-oxamoylpyrrolo[2,3-d]pyrimidin-4-yl)oxyacetic acid Traditional Name: 2-[7-benzyl-6-ethyl-2-(methylthio)-5-oxamoyl-pyrrolo[2,3-d]pyrimidin-4-yl]oxyacetic acid Formula: C20H20N4O5S MolecularWeight: 428.4616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(N1CC3=CC=CC=C3)N=C(N=C2OCC(=O)O)SC)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(N1CC3=CC=CC=C3)N=C(N=C2OCC(=O)O)SC)C(=O)C(=O)N

InChI

InChI=1S/C20H20N4O5S/c1-3-12-14(16(27)17(21)28)15-18(24(12)9-11-7-5-4-6-8-11)22-20(30-2)23-19(15)29-10-13(25)26/h4-8H,3,9-10H2,1-2H3,(H2,21,28)(H,25,26)