methyl 2-[3-[[6-azanyl-2-(3-ethylsulfonylpropoxy)purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(3-ethylsulfonylpropoxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(3-ethylsulfonylpropoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(3-ethylsulfonylpropoxy)-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(3-ethylsulfonylpropoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(3-esylpropoxy)purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C20H25N5O5S MolecularWeight: 447.508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCS(=O)(=O)CCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C20H25N5O5S/c1-3-31(27,28)9-5-8-30-20-23-18(21)17-19(24-20)25(13-22-17)12-15-7-4-6-14(10-15)11-16(26)29-2/h4,6-7,10,13H,3,5,8-9,11-12H2,1-2H3,(H2,21,23,24)