[6-azanyl-2-butoxy-9-[(6-chloranylpyridin-3-yl)methyl]purin-8-yl] ethanoate

Systemtic Name: [6-azanyl-2-butoxy-9-[(6-chloranylpyridin-3-yl)methyl]purin-8-yl] ethanoate Openeye Name: [6-amino-2-butoxy-9-[(6-chloro-3-pyridyl)methyl]purin-8-yl] acetate CAS Name: acetic acid [6-amino-2-butoxy-9-[(6-chloro-3-pyridinyl)methyl]-8-purinyl] ester IUPAC Name: [6-amino-2-butoxy-9-[(6-chloropyridin-3-yl)methyl]purin-8-yl] acetate Traditional Name: acetic acid [6-amino-2-butoxy-9-[(6-chloro-3-pyridyl)methyl]purin-8-yl] ester Formula: C17H19ClN6O3 MolecularWeight: 390.82416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CN=C(C=C3)Cl)OC(=O)C

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CN=C(C=C3)Cl)OC(=O)C

InChI

InChI=1S/C17H19ClN6O3/c1-3-4-7-26-16-22-14(19)13-15(23-16)24(17(21-13)27-10(2)25)9-11-5-6-12(18)20-8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H2,19,22,23)