[7-(2-azanylpurin-9-yl)-3-carboxyoxy-3-methyl-heptyl] ethanoate

Systemtic Name: [7-(2-azanylpurin-9-yl)-3-carboxyoxy-3-methyl-heptyl] ethanoate Openeye Name: [7-(2-aminopurin-9-yl)-3-carboxyoxy-3-methyl-heptyl] acetate CAS Name: acetic acid [7-(2-amino-9-purinyl)-3-carboxyoxy-3-methylheptyl] ester IUPAC Name: [7-(2-aminopurin-9-yl)-3-carboxyoxy-3-methylheptyl] acetate Traditional Name: acetic acid [7-(2-aminopurin-9-yl)-3-carboxyoxy-3-methyl-heptyl] ester Formula: C16H23N5O5 MolecularWeight: 365.38432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(C)(CCCCN1C=NC2=CN=C(N=C21)N)OC(=O)O

Isomeric SMILES

CC(=O)OCCC(C)(CCCCN1C=NC2=CN=C(N=C21)N)OC(=O)O

InChI

InChI=1S/C16H23N5O5/c1-11(22)25-8-6-16(2,26-15(23)24)5-3-4-7-21-10-19-12-9-18-14(17)20-13(12)21/h9-10H,3-8H2,1-2H3,(H,23,24)(H2,17,18,20)