methyl 2,4-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H21N5O3/c1-11-13(16(24)25-3)12(2)20-14(11)15(23)21-7-9-22(10-8-21)17-18-5-4-6-19-17/h4-6,20H,7-10H2,1-3H3