methyl 2-[4-[(7-oxidanylideneimidazo[1,2-a]pyrimidin-8-yl)methyl]phenyl]benzoate

Systemtic Name: methyl 2-[4-[(7-oxidanylideneimidazo[1,2-a]pyrimidin-8-yl)methyl]phenyl]benzoate Openeye Name: methyl 2-[4-[(7-oxoimidazo[1,2-a]pyrimidin-8-yl)methyl]phenyl]benzoate CAS Name: 2-[4-[(7-oxo-8-imidazo[1,2-a]pyrimidinyl)methyl]phenyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(7-oxoimidazo[1,2-a]pyrimidin-8-yl)methyl]phenyl]benzoate Traditional Name: 2-[4-[(7-ketoimidazo[1,2-a]pyrimidin-8-yl)methyl]phenyl]benzoic acid methyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=O)C=CN4C3=NC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C(=O)C=CN4C3=NC=C4

InChI

InChI=1S/C21H17N3O3/c1-27-20(26)18-5-3-2-4-17(18)16-8-6-15(7-9-16)14-24-19(25)10-12-23-13-11-22-21(23)24/h2-13H,14H2,1H3