(5-azanyl-6-oxidanylidene-1-phenyl-pyrimidin-4-yl)methyl benzoate

Systemtic Name: (5-azanyl-6-oxidanylidene-1-phenyl-pyrimidin-4-yl)methyl benzoate Openeye Name: (5-amino-6-oxo-1-phenyl-pyrimidin-4-yl)methyl benzoate CAS Name: benzoic acid (5-amino-6-oxo-1-phenyl-4-pyrimidinyl)methyl ester IUPAC Name: (5-amino-6-oxo-1-phenylpyrimidin-4-yl)methyl benzoate Traditional Name: benzoic acid (5-amino-6-keto-1-phenyl-pyrimidin-4-yl)methyl ester Formula: C18H15N3O3 MolecularWeight: 321.33

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=C(C(=O)N(C=N2)C3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=C(C(=O)N(C=N2)C3=CC=CC=C3)N

InChI

InChI=1S/C18H15N3O3/c19-16-15(11-24-18(23)13-7-3-1-4-8-13)20-12-21(17(16)22)14-9-5-2-6-10-14/h1-10,12H,11,19H2