methyl 2-[3-[[6-azanyl-2-(3-ethylsulfonylpropoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(3-ethylsulfonylpropoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(3-ethylsulfonylpropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(3-ethylsulfonylpropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(3-ethylsulfonylpropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(3-esylpropoxy)-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C20H25N5O6S MolecularWeight: 463.5074

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCS(=O)(=O)CCCOC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C20H25N5O6S/c1-3-32(28,29)9-5-8-31-19-23-17(21)16-18(24-19)25(20(27)22-16)12-14-7-4-6-13(10-14)11-15(26)30-2/h4,6-7,10H,3,5,8-9,11-12H2,1-2H3,(H,22,27)(H2,21,23,24)