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

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(3-ethylsulfanylpropoxy)purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(3-ethylsulfanylpropoxy)purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-[3-(ethylthio)propoxy]-9-purinyl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(3-ethylsulfanylpropoxy)purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-[3-(ethylthio)propoxy]purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC(=O)OC

Isomeric SMILES

CCSCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC=CC(=C3)CC(=O)OC

InChI

InChI=1S/C20H25N5O3S/c1-3-29-9-5-8-28-20-23-18(21)17-19(24-20)25(13-22-17)12-15-7-4-6-14(10-15)11-16(26)27-2/h4,6-7,10,13H,3,5,8-9,11-12H2,1-2H3,(H2,21,23,24)