methyl 4-[[2-(pyrimidin-2-ylamino)ethylcarbamoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(pyrimidin-2-ylamino)ethylcarbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-(pyrimidin-2-ylamino)ethylcarbamoylamino]methyl]benzoate CAS Name: 4-[[[oxo-[2-(2-pyrimidinylamino)ethylamino]methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(pyrimidin-2-ylamino)ethylcarbamoylamino]methyl]benzoate Traditional Name: 4-[[2-(2-pyrimidylamino)ethylcarbamoylamino]methyl]benzoic acid methyl ester Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)NCCNC2=NC=CC=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)NCCNC2=NC=CC=N2

InChI

InChI=1S/C16H19N5O3/c1-24-14(22)13-5-3-12(4-6-13)11-21-16(23)20-10-9-19-15-17-7-2-8-18-15/h2-8H,9-11H2,1H3,(H,17,18,19)(H2,20,21,23)