2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (2S)-2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (2S)-2-azanyl-4-methylsulfanyl-butanoate Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-4-methylsulfanyl-butanoate CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-4-methylsulfanylbutanoate Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester Formula: C13H20N6O4S MolecularWeight: 356.4007

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N

Isomeric SMILES

CSCC[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N

InChI

InChI=1S/C13H20N6O4S/c1-24-5-2-8(14)12(21)23-4-3-22-7-19-6-16-9-10(19)17-13(15)18-11(9)20/h6,8H,2-5,7,14H2,1H3,(H3,15,17,18,20)/t8-/m0/s1