methyl 4-[2-(4-oxidanylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)ethynyl]benzoate

Systemtic Name: methyl 4-[2-(4-oxidanylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)ethynyl]benzoate Openeye Name: methyl 4-[2-(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)ethynyl]benzoate CAS Name: 4-[2-(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)ethynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)ethynyl]benzoate Traditional Name: 4-[2-(4-keto-7H-pyrrolo[2,3-d]pyrimidin-3-yl)ethynyl]benzoic acid methyl ester Formula: C16H11N3O3 MolecularWeight: 293.27684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C#CN2C=NC3=C(C2=O)C=CN3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C#CN2C=NC3=C(C2=O)C=CN3

InChI

InChI=1S/C16H11N3O3/c1-22-16(21)12-4-2-11(3-5-12)7-9-19-10-18-14-13(15(19)20)6-8-17-14/h2-6,8,10,17H,1H3