ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C19H25N5O3/c1-4-27-18(26)16-12-14(2)24(15(16)3)13-17(25)22-8-10-23(11-9-22)19-20-6-5-7-21-19/h5-7,12H,4,8-11,13H2,1-3H3