diethyl 2-[[2-(pyrimidin-2-ylcarbamoylamino)ethanoylamino]carbamoylamino]pentanedioate

Systemtic Name: diethyl 2-[[2-(pyrimidin-2-ylcarbamoylamino)ethanoylamino]carbamoylamino]pentanedioate Openeye Name: diethyl 2-[[[2-(pyrimidin-2-ylcarbamoylamino)acetyl]amino]carbamoylamino]pentanedioate CAS Name: 2-[[oxo-[[1-oxo-2-[[oxo-(2-pyrimidinylamino)methyl]amino]ethyl]hydrazo]methyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[2-(pyrimidin-2-ylcarbamoylamino)acetyl]amino]carbamoylamino]pentanedioate Traditional Name: 2-[[[2-(2-pyrimidylcarbamoylamino)acetyl]amino]carbamoylamino]glutaric acid diethyl ester Formula: C17H25N7O7 MolecularWeight: 439.4231

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)NNC(=O)CNC(=O)NC1=NC=CC=N1

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)NNC(=O)CNC(=O)NC1=NC=CC=N1

InChI

InChI=1S/C17H25N7O7/c1-3-30-13(26)7-6-11(14(27)31-4-2)21-17(29)24-23-12(25)10-20-16(28)22-15-18-8-5-9-19-15/h5,8-9,11H,3-4,6-7,10H2,1-2H3,(H,23,25)(H2,21,24,29)(H2,18,19,20,22,28)