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

Systemtic Name: [6-azanyl-2-(butylamino)-9-[(6-chloranylpyridin-3-yl)methyl]purin-8-yl] propan-2-yl carbonate Openeye Name: [6-amino-2-(butylamino)-9-[(6-chloro-3-pyridyl)methyl]purin-8-yl] isopropyl carbonate CAS Name: carbonic acid [6-amino-2-(butylamino)-9-[(6-chloro-3-pyridinyl)methyl]-8-purinyl] propan-2-yl ester IUPAC Name: [6-amino-2-(butylamino)-9-[(6-chloropyridin-3-yl)methyl]purin-8-yl] propan-2-yl carbonate Traditional Name: carbonic acid [6-amino-2-(butylamino)-9-[(6-chloro-3-pyridyl)methyl]purin-8-yl] isopropyl ester Formula: C19H24ClN7O3 MolecularWeight: 433.89196

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN7O3/c1-4-5-8-22-17-25-15(21)14-16(26-17)27(10-12-6-7-13(20)23-9-12)18(24-14)30-19(28)29-11(2)3/h6-7,9,11H,4-5,8,10H2,1-3H3,(H3,21,22,25,26)