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

Systemtic Name: lithium (2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-methyl-sulfonio]-2-azanyl-butanoate bromide Openeye Name: lithium (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]butanoate bromide CAS Name: lithium (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl-methylsulfonio]butanoate bromide IUPAC Name: lithium (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylsulfonio]butanoate bromide Traditional Name: lithium (2S)-4-[[(2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl-methyl-sulfonio]-2-amino-butyrate bromide Formula: C15H22BrLiN6O5S MolecularWeight: 485.28238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[Li+].C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[Br-]

Isomeric SMILES

[Li+].C[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O.[Br-]

InChI

InChI=1S/C15H22N6O5S.BrH.Li/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-,17,18,19,24,25);1H;/q;;+1/p-1/t7-,8+,10+,11+,14+,27?;;/m0../s1