[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 3,5-dimethylbenzoate Openeye Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-oxo-2-(2-pyrimidinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-keto-2-(2-pyrimidylamino)ethyl] ester Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=NC=CC=N2)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=NC=CC=N2)C

InChI

InChI=1S/C15H15N3O3/c1-10-6-11(2)8-12(7-10)14(20)21-9-13(19)18-15-16-4-3-5-17-15/h3-8H,9H2,1-2H3,(H,16,17,18,19)