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

Systemtic Name: [6-azanyl-2-(butylamino)-9-[(6-methoxypyridin-3-yl)methyl]purin-8-yl] ethyl carbonate Openeye Name: [6-amino-2-(butylamino)-9-[(6-methoxy-3-pyridyl)methyl]purin-8-yl] ethyl carbonate CAS Name: carbonic acid [6-amino-2-(butylamino)-9-[(6-methoxy-3-pyridinyl)methyl]-8-purinyl] ethyl ester IUPAC Name: [6-amino-2-(butylamino)-9-[(6-methoxypyridin-3-yl)methyl]purin-8-yl] ethyl carbonate Traditional Name: carbonic acid [6-amino-2-(butylamino)-9-[(6-methoxy-3-pyridyl)methyl]purin-8-yl] ethyl ester Formula: C19H25N7O4 MolecularWeight: 415.4463

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H25N7O4/c1-4-6-9-21-17-24-15(20)14-16(25-17)26(18(23-14)30-19(27)29-5-2)11-12-7-8-13(28-3)22-10-12/h7-8,10H,4-6,9,11H2,1-3H3,(H3,20,21,24,25)