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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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