2-hydroxyethyl 2-[3-[[6-azanyl-2-(4-oxidanylbutylsulfanyl)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate

Systemtic Name: 2-hydroxyethyl 2-[3-[[6-azanyl-2-(4-oxidanylbutylsulfanyl)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: 2-hydroxyethyl 2-[3-[[6-amino-2-(4-hydroxybutylsulfanyl)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(4-hydroxybutylthio)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 2-[3-[[6-amino-2-(4-hydroxybutylsulfanyl)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(4-hydroxybutylthio)-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid 2-hydroxyethyl ester Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C(=NC(=N3)SCCCCO)N)NC2=O)CC(=O)OCCO

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C(=NC(=N3)SCCCCO)N)NC2=O)CC(=O)OCCO

InChI

InChI=1S/C20H25N5O5S/c21-17-16-18(24-19(23-17)31-9-2-1-6-26)25(20(29)22-16)12-14-5-3-4-13(10-14)11-15(28)30-8-7-27/h3-5,10,26-27H,1-2,6-9,11-12H2,(H,22,29)(H2,21,23,24)