[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl (2S)-2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl (2S)-2-azanyl-4-methylsulfanyl-butanoate Openeye Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (2S)-2-amino-4-methylsulfanyl-butanoate CAS Name: (2S)-2-amino-4-(methylthio)butanoic acid [5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-amino-4-methylsulfanylbutanoate Traditional Name: (2S)-2-amino-4-(methylthio)butyric acid (5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C15H22N6O5S MolecularWeight: 398.43738

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)N

Isomeric SMILES

CSCC[C@@H](C(=O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)N

InChI

InChI=1S/C15H22N6O5S/c1-27-3-2-7(16)15(24)25-4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2,17,18,19)/t7-,8?,10?,11?,14?/m0/s1