[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 3-(pyrimidin-2-ylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 3-(pyrimidin-2-ylamino)propanoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(pyrimidin-2-ylamino)propanoate CAS Name: 3-(2-pyrimidinylamino)propanoic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(pyrimidin-2-ylamino)propanoate Traditional Name: 3-(2-pyrimidylamino)propionic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=O)COC(=O)CCNC2=NC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=O)COC(=O)CCNC2=NC=CC=N2

InChI

InChI=1S/C17H18N4O4/c22-14(11-13-5-2-1-3-6-13)21-15(23)12-25-16(24)7-10-20-17-18-8-4-9-19-17/h1-6,8-9H,7,10-12H2,(H,18,19,20)(H,21,22,23)