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

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(3-methylsulfonylpropoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(3-methylsulfonylpropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(3-methylsulfonylpropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(3-methylsulfonylpropoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-keto-2-(3-mesylpropoxy)-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C19H23N5O6S MolecularWeight: 449.48082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCCS(=O)(=O)C)N)NC2=O

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCCS(=O)(=O)C)N)NC2=O

InChI

InChI=1S/C19H23N5O6S/c1-29-14(25)10-12-5-3-6-13(9-12)11-24-17-15(21-19(24)26)16(20)22-18(23-17)30-7-4-8-31(2,27)28/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,21,26)(H2,20,22,23)