ethyl (E,4R,5S)-6-(6-aminopurin-9-yl)-4,5-bis(oxidanyl)hex-2-enoate

Systemtic Name: ethyl (E,4R,5S)-6-(6-aminopurin-9-yl)-4,5-bis(oxidanyl)hex-2-enoate Openeye Name: ethyl (E,4R,5S)-6-(6-aminopurin-9-yl)-4,5-dihydroxy-hex-2-enoate CAS Name: (E,4R,5S)-6-(6-aminopurin-9-yl)-4,5-dihydroxy-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,4R,5S)-6-(6-aminopurin-9-yl)-4,5-dihydroxyhex-2-enoate Traditional Name: (E,4R,5S)-6-adenin-9-yl-4,5-dihydroxy-hex-2-enoic acid ethyl ester Formula: C13H17N5O4 MolecularWeight: 307.30518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(C(CN1C=NC2=C1N=CN=C2N)O)O

Isomeric SMILES

CCOC(=O)/C=C/[C@H]([C@H](CN1C=NC2=C1N=CN=C2N)O)O

InChI

InChI=1S/C13H17N5O4/c1-2-22-10(21)4-3-8(19)9(20)5-18-7-17-11-12(14)15-6-16-13(11)18/h3-4,6-9,19-20H,2,5H2,1H3,(H2,14,15,16)/b4-3+/t8-,9+/m1/s1