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

Systemtic Name: methyl 2-[3-[[6-azanyl-8-oxidanylidene-2-(2-phenylsulfanylethoxy)-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-8-oxo-2-(2-phenylsulfanylethoxy)-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-8-oxo-2-[2-(phenylthio)ethoxy]-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-8-oxo-2-(2-phenylsulfanylethoxy)-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-8-keto-2-[2-(phenylthio)ethoxy]-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCSC4=CC=CC=C4)N)NC2=O

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C3=C(C(=NC(=N3)OCCSC4=CC=CC=C4)N)NC2=O

InChI

InChI=1S/C23H23N5O4S/c1-31-18(29)13-15-6-5-7-16(12-15)14-28-21-19(25-23(28)30)20(24)26-22(27-21)32-10-11-33-17-8-3-2-4-9-17/h2-9,12H,10-11,13-14H2,1H3,(H,25,30)(H2,24,26,27)