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

Systemtic Name: [6-azanyl-2-butoxy-9-(pyridin-3-ylmethyl)purin-8-yl] cyclohexyl carbonate Openeye Name: [6-amino-2-butoxy-9-(3-pyridylmethyl)purin-8-yl] cyclohexyl carbonate CAS Name: carbonic acid [6-amino-2-butoxy-9-(3-pyridinylmethyl)-8-purinyl] cyclohexyl ester IUPAC Name: [6-amino-2-butoxy-9-(pyridin-3-ylmethyl)purin-8-yl] cyclohexyl carbonate Traditional Name: carbonic acid [6-amino-2-butoxy-9-(3-pyridylmethyl)purin-8-yl] cyclohexyl ester Formula: C22H28N6O4 MolecularWeight: 440.49552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CN=CC=C3)OC(=O)OC4CCCCC4

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=C(N2CC3=CN=CC=C3)OC(=O)OC4CCCCC4

InChI

InChI=1S/C22H28N6O4/c1-2-3-12-30-20-26-18(23)17-19(27-20)28(14-15-8-7-11-24-13-15)21(25-17)32-22(29)31-16-9-5-4-6-10-16/h7-8,11,13,16H,2-6,9-10,12,14H2,1H3,(H2,23,26,27)