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

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-methylsulfanylethoxy)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-methylsulfanylethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-[2-(methylthio)ethoxy]-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-methylsulfanylethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-keto-2-[2-(methylthio)ethoxy]-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4S/c1-26-13(24)9-11-4-3-5-12(8-11)10-23-16-14(20-18(23)25)15(19)21-17(22-16)27-6-7-28-2/h3-5,8H,6-7,9-10H2,1-2H3,(H,20,25)(H2,19,21,22)