methyl 7-[[3-(pyrimidin-2-ylamino)phenyl]carbonylamino]heptanoate

Systemtic Name: methyl 7-[[3-(pyrimidin-2-ylamino)phenyl]carbonylamino]heptanoate Openeye Name: methyl 7-[[3-(pyrimidin-2-ylamino)benzoyl]amino]heptanoate CAS Name: 7-[[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]amino]heptanoic acid methyl ester IUPAC Name: methyl 7-[[3-(pyrimidin-2-ylamino)benzoyl]amino]heptanoate Traditional Name: 7-[[3-(2-pyrimidylamino)benzoyl]amino]enanthic acid methyl ester Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCNC(=O)C1=CC(=CC=C1)NC2=NC=CC=N2

Isomeric SMILES

COC(=O)CCCCCCNC(=O)C1=CC(=CC=C1)NC2=NC=CC=N2

InChI

InChI=1S/C19H24N4O3/c1-26-17(24)10-4-2-3-5-11-20-18(25)15-8-6-9-16(14-15)23-19-21-12-7-13-22-19/h6-9,12-14H,2-5,10-11H2,1H3,(H,20,25)(H,21,22,23)