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

Systemtic Name: 2-[6-ethyl-5-oxamoyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyethanoic acid Openeye Name: 2-(7-benzyl-6-ethyl-5-oxamoyl-pyrrolo[2,3-d]pyrimidin-4-yl)oxyacetic acid CAS Name: 2-[[6-ethyl-5-oxamoyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidinyl]oxy]acetic acid IUPAC Name: 2-(7-benzyl-6-ethyl-5-oxamoylpyrrolo[2,3-d]pyrimidin-4-yl)oxyacetic acid Traditional Name: 2-(7-benzyl-6-ethyl-5-oxamoyl-pyrrolo[2,3-d]pyrimidin-4-yl)oxyacetic acid Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O5/c1-2-12-14(16(26)17(20)27)15-18(21-10-22-19(15)28-9-13(24)25)23(12)8-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,20,27)(H,24,25)