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

Systemtic Name: [6-azanyl-2-(butylamino)-9-[(6-chloranylpyridin-3-yl)methyl]purin-8-yl] ethyl carbonate Openeye Name: [6-amino-2-(butylamino)-9-[(6-chloro-3-pyridyl)methyl]purin-8-yl] ethyl carbonate CAS Name: carbonic acid [6-amino-2-(butylamino)-9-[(6-chloro-3-pyridinyl)methyl]-8-purinyl] ethyl ester IUPAC Name: [6-amino-2-(butylamino)-9-[(6-chloropyridin-3-yl)methyl]purin-8-yl] ethyl carbonate Traditional Name: carbonic acid [6-amino-2-(butylamino)-9-[(6-chloro-3-pyridyl)methyl]purin-8-yl] ethyl ester Formula: C18H22ClN7O3 MolecularWeight: 419.86538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CN=C(C=C3)Cl)OC(=O)OCC

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)N=C(N2CC3=CN=C(C=C3)Cl)OC(=O)OCC

InChI

InChI=1S/C18H22ClN7O3/c1-3-5-8-21-16-24-14(20)13-15(25-16)26(10-11-6-7-12(19)22-9-11)17(23-13)29-18(27)28-4-2/h6-7,9H,3-5,8,10H2,1-2H3,(H3,20,21,24,25)