diethyl 3-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(2-pyrimidyl)piperazino]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CN2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CN2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H27N5O4/c1-4-28-18(26)16-14(3)17(19(27)29-5-2)23-15(16)13-24-9-11-25(12-10-24)20-21-7-6-8-22-20/h6-8,23H,4-5,9-13H2,1-3H3