butyl 4-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]benzoate

Systemtic Name: butyl 4-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]benzoate Openeye Name: butyl 4-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]benzoate CAS Name: 4-[[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]benzoate Traditional Name: 4-[[4-(2-pyrimidyl)piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-2-3-15-28-18(26)16-5-7-17(8-6-16)23-20(27)25-13-11-24(12-14-25)19-21-9-4-10-22-19/h4-10H,2-3,11-15H2,1H3,(H,23,27)