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

Systemtic Name: ethyl (2S)-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]-2-azanyl-butanoate Openeye Name: ethyl (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]butanoate CAS Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methylthio]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoate Traditional Name: (2S)-4-[[(2S,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methylthio]-2-amino-butyric acid ethyl ester Formula: C16H24N6O5S MolecularWeight: 412.46396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)N

Isomeric SMILES

CCOC(=O)[C@H](CCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O)N

InChI

InChI=1S/C16H24N6O5S/c1-2-26-16(25)8(17)3-4-28-5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24H,2-5,17H2,1H3,(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1