O2-ethyl O4-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-ethyl O4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[2-oxo-2-(2-pyrimidinylamino)ethyl] ester IUPAC Name: 2-O-ethyl 4-O-[2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[2-keto-2-(2-pyrimidylamino)ethyl] ester Formula: C16H18N4O5 MolecularWeight: 346.33792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=NC=CC=N2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=NC=CC=N2)C

InChI

InChI=1S/C16H18N4O5/c1-4-24-15(23)13-9(2)12(10(3)19-13)14(22)25-8-11(21)20-16-17-6-5-7-18-16/h5-7,19H,4,8H2,1-3H3,(H,17,18,20,21)