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

Systemtic Name: methyl 2-[3-[[6-azanyl-2-(2-hydroxyethylsulfanyl)-8-oxidanylidene-7H-purin-9-yl]methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[[6-amino-2-(2-hydroxyethylsulfanyl)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate CAS Name: 2-[3-[[6-amino-2-(2-hydroxyethylthio)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[6-amino-2-(2-hydroxyethylsulfanyl)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate Traditional Name: 2-[3-[[6-amino-2-(2-hydroxyethylthio)-8-keto-7H-purin-9-yl]methyl]phenyl]acetic acid methyl ester Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4S/c1-26-12(24)8-10-3-2-4-11(7-10)9-22-15-13(19-17(22)25)14(18)20-16(21-15)27-6-5-23/h2-4,7,23H,5-6,8-9H2,1H3,(H,19,25)(H2,18,20,21)