dimethyl 2-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)ethyl]propanedioate Openeye Name: dimethyl 2-[2-(2-amino-6-oxo-3H-purin-7-yl)ethyl]propanedioate CAS Name: 2-[2-(2-amino-6-oxo-3H-purin-7-yl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(2-amino-6-oxo-3H-purin-7-yl)ethyl]propanedioate Traditional Name: 2-[2-(2-amino-6-keto-3H-purin-7-yl)ethyl]malonic acid dimethyl ester Formula: C12H15N5O5 MolecularWeight: 309.278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C=NC2=C1C(=O)N=C(N2)N)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C=NC2=C1C(=O)N=C(N2)N)C(=O)OC

InChI

InChI=1S/C12H15N5O5/c1-21-10(19)6(11(20)22-2)3-4-17-5-14-8-7(17)9(18)16-12(13)15-8/h5-6H,3-4H2,1-2H3,(H3,13,15,16,18)