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

Systemtic Name: 2-[6-ethyl-2-methyl-5-oxamoyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyethanoic acid Openeye Name: 2-(7-benzyl-6-ethyl-2-methyl-5-oxamoyl-pyrrolo[2,3-d]pyrimidin-4-yl)oxyacetic acid CAS Name: 2-[[6-ethyl-2-methyl-5-oxamoyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidinyl]oxy]acetic acid IUPAC Name: 2-(7-benzyl-6-ethyl-2-methyl-5-oxamoylpyrrolo[2,3-d]pyrimidin-4-yl)oxyacetic acid Traditional Name: 2-(7-benzyl-6-ethyl-2-methyl-5-oxamoyl-pyrrolo[2,3-d]pyrimidin-4-yl)oxyacetic acid Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5/c1-3-13-15(17(27)18(21)28)16-19(24(13)9-12-7-5-4-6-8-12)22-11(2)23-20(16)29-10-14(25)26/h4-8H,3,9-10H2,1-2H3,(H2,21,28)(H,25,26)