[6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)purin-8-yl] 4-chloranylbutyl carbonate

Systemtic Name: [6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)purin-8-yl] 4-chloranylbutyl carbonate Openeye Name: [6-amino-9-benzyl-2-(2-methoxyethoxy)purin-8-yl] 4-chlorobutyl carbonate CAS Name: carbonic acid [6-amino-2-(2-methoxyethoxy)-9-(phenylmethyl)-8-purinyl] 4-chlorobutyl ester IUPAC Name: [6-amino-9-benzyl-2-(2-methoxyethoxy)purin-8-yl] 4-chlorobutyl carbonate Traditional Name: carbonic acid [6-amino-9-benzyl-2-(2-methoxyethoxy)purin-8-yl] 4-chlorobutyl ester Formula: C20H24ClN5O5 MolecularWeight: 449.88806

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)OC(=O)OCCCCCl

Isomeric SMILES

COCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CC=CC=C3)OC(=O)OCCCCCl

InChI

InChI=1S/C20H24ClN5O5/c1-28-11-12-29-18-24-16(22)15-17(25-18)26(13-14-7-3-2-4-8-14)19(23-15)31-20(27)30-10-6-5-9-21/h2-4,7-8H,5-6,9-13H2,1H3,(H2,22,24,25)