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

Systemtic Name: dipropan-2-yl 2-[2-(2-azanylpurin-9-yl)ethyl]propanedioate Openeye Name: diisopropyl 2-[2-(2-aminopurin-9-yl)ethyl]propanedioate CAS Name: 2-[2-(2-amino-9-purinyl)ethyl]propanedioic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 2-[2-(2-aminopurin-9-yl)ethyl]propanedioate Traditional Name: 2-[2-(2-aminopurin-9-yl)ethyl]malonic acid diisopropyl ester Formula: C16H23N5O4 MolecularWeight: 349.38492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O4/c1-9(2)24-14(22)11(15(23)25-10(3)4)5-6-21-8-19-12-7-18-16(17)20-13(12)21/h7-11H,5-6H2,1-4H3,(H2,17,18,20)