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

Systemtic Name: [6-azanyl-2-(butylamino)-9-[(6-methoxypyridin-3-yl)methyl]purin-8-yl] propan-2-yl carbonate Openeye Name: [6-amino-2-(butylamino)-9-[(6-methoxy-3-pyridyl)methyl]purin-8-yl] isopropyl carbonate CAS Name: carbonic acid [6-amino-2-(butylamino)-9-[(6-methoxy-3-pyridinyl)methyl]-8-purinyl] propan-2-yl ester IUPAC Name: [6-amino-2-(butylamino)-9-[(6-methoxypyridin-3-yl)methyl]purin-8-yl] propan-2-yl carbonate Traditional Name: carbonic acid [6-amino-2-(butylamino)-9-[(6-methoxy-3-pyridyl)methyl]purin-8-yl] isopropyl ester Formula: C20H27N7O4 MolecularWeight: 429.47288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7O4/c1-5-6-9-22-18-25-16(21)15-17(26-18)27(11-13-7-8-14(29-4)23-10-13)19(24-15)31-20(28)30-12(2)3/h7-8,10,12H,5-6,9,11H2,1-4H3,(H3,21,22,25,26)