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

Systemtic Name: [6-azanyl-2-butoxy-9-[(6-chloranylpyridin-3-yl)methyl]purin-8-yl] ethyl carbonate Openeye Name: [6-amino-2-butoxy-9-[(6-chloro-3-pyridyl)methyl]purin-8-yl] ethyl carbonate CAS Name: carbonic acid [6-amino-2-butoxy-9-[(6-chloro-3-pyridinyl)methyl]-8-purinyl] ethyl ester IUPAC Name: [6-amino-2-butoxy-9-[(6-chloropyridin-3-yl)methyl]purin-8-yl] ethyl carbonate Traditional Name: carbonic acid [6-amino-2-butoxy-9-[(6-chloro-3-pyridyl)methyl]purin-8-yl] ethyl ester Formula: C18H21ClN6O4 MolecularWeight: 420.85014

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN6O4/c1-3-5-8-28-16-23-14(20)13-15(24-16)25(10-11-6-7-12(19)21-9-11)17(22-13)29-18(26)27-4-2/h6-7,9H,3-5,8,10H2,1-2H3,(H2,20,23,24)