O4-methyl O2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: 4-O-methyl 2-O-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester O4-methyl ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3)C)C(=O)OC

InChI

InChI=1S/C20H25N5O5/c1-4-14-16(18(27)29-3)13(2)17(23-14)19(28)30-12-15(26)24-8-10-25(11-9-24)20-21-6-5-7-22-20/h5-7,23H,4,8-12H2,1-3H3