[6-azanyl-2-butoxy-9-(pyridin-3-ylmethyl)purin-8-yl] pentyl carbonate

Systemtic Name: [6-azanyl-2-butoxy-9-(pyridin-3-ylmethyl)purin-8-yl] pentyl carbonate Openeye Name: [6-amino-2-butoxy-9-(3-pyridylmethyl)purin-8-yl] pentyl carbonate CAS Name: carbonic acid [6-amino-2-butoxy-9-(3-pyridinylmethyl)-8-purinyl] pentyl ester IUPAC Name: [6-amino-2-butoxy-9-(pyridin-3-ylmethyl)purin-8-yl] pentyl carbonate Traditional Name: carbonic acid [6-amino-2-butoxy-9-(3-pyridylmethyl)purin-8-yl] amyl ester Formula: C21H28N6O4 MolecularWeight: 428.48482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)OC1=NC2=C(N1CC3=CN=CC=C3)N=C(N=C2N)OCCCC

Isomeric SMILES

CCCCCOC(=O)OC1=NC2=C(N1CC3=CN=CC=C3)N=C(N=C2N)OCCCC

InChI

InChI=1S/C21H28N6O4/c1-3-5-7-12-30-21(28)31-20-24-16-17(22)25-19(29-11-6-4-2)26-18(16)27(20)14-15-9-8-10-23-13-15/h8-10,13H,3-7,11-12,14H2,1-2H3,(H2,22,25,26)