dimethyl 2-[2-(2-azanylpurin-9-yl)ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-(2-azanylpurin-9-yl)ethyl]propanedioate Openeye Name: dimethyl 2-[2-(2-aminopurin-9-yl)ethyl]propanedioate CAS Name: 2-[2-(2-amino-9-purinyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(2-aminopurin-9-yl)ethyl]propanedioate Traditional Name: 2-[2-(2-aminopurin-9-yl)ethyl]malonic acid dimethyl ester Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C=NC2=CN=C(N=C21)N)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C=NC2=CN=C(N=C21)N)C(=O)OC

InChI

InChI=1S/C12H15N5O4/c1-20-10(18)7(11(19)21-2)3-4-17-6-15-8-5-14-12(13)16-9(8)17/h5-7H,3-4H2,1-2H3,(H2,13,14,16)