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

Systemtic Name: ethyl 3,5-dimethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[4-(2-pyrimidyl)piperazine-1-carbonyl]-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C18H23N5O3/c1-4-26-17(25)15-12(2)14(13(3)21-15)16(24)22-8-10-23(11-9-22)18-19-6-5-7-20-18/h5-7,21H,4,8-11H2,1-3H3