[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(propan-2-ylcarbamoylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(propan-2-ylcarbamoylamino)benzoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(isopropylcarbamoylamino)benzoate CAS Name: 2-[[oxo-(propan-2-ylamino)methyl]amino]benzoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-(propan-2-ylcarbamoylamino)benzoate Traditional Name: 2-(isopropylcarbamoylamino)benzoic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H26N6O4 MolecularWeight: 426.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H26N6O4/c1-15(2)24-21(30)25-17-7-4-3-6-16(17)19(29)31-14-18(28)26-10-12-27(13-11-26)20-22-8-5-9-23-20/h3-9,15H,10-14H2,1-2H3,(H2,24,25,30)