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

Systemtic Name: methyl 2-[6-ethyl-2-methyl-5-oxamoyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-yl]oxyethanoate Openeye Name: methyl 2-(7-benzyl-6-ethyl-2-methyl-5-oxamoyl-pyrrolo[2,3-d]pyrimidin-4-yl)oxyacetate CAS Name: 2-[[6-ethyl-2-methyl-5-oxamoyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-(7-benzyl-6-ethyl-2-methyl-5-oxamoylpyrrolo[2,3-d]pyrimidin-4-yl)oxyacetate Traditional Name: 2-(7-benzyl-6-ethyl-2-methyl-5-oxamoyl-pyrrolo[2,3-d]pyrimidin-4-yl)oxyacetic acid methyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5/c1-4-14-16(18(27)19(22)28)17-20(25(14)10-13-8-6-5-7-9-13)23-12(2)24-21(17)30-11-15(26)29-3/h5-9H,4,10-11H2,1-3H3,(H2,22,28)