dimethyl 2-[2-(2-azanyl-5-cyano-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-(2-azanyl-5-cyano-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]propanedioate Openeye Name: dimethyl 2-[2-(2-amino-5-cyano-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]propanedioate CAS Name: 2-[2-(2-amino-5-cyano-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(2-amino-5-cyano-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]propanedioate Traditional Name: 2-[2-(2-amino-5-cyano-4-keto-1H-pyrrolo[2,3-d]pyrimidin-7-yl)ethyl]malonic acid dimethyl ester Formula: C14H15N5O5 MolecularWeight: 333.2994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C=C(C2=C1NC(=NC2=O)N)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C=C(C2=C1NC(=NC2=O)N)C#N)C(=O)OC

InChI

InChI=1S/C14H15N5O5/c1-23-12(21)8(13(22)24-2)3-4-19-6-7(5-15)9-10(19)17-14(16)18-11(9)20/h6,8H,3-4H2,1-2H3,(H3,16,17,18,20)