ethyl (E)-6-(6-aminopurin-9-yl)-4-oxidanyl-hex-2-enoate

Systemtic Name: ethyl (E)-6-(6-aminopurin-9-yl)-4-oxidanyl-hex-2-enoate Openeye Name: ethyl (E)-6-(6-aminopurin-9-yl)-4-hydroxy-hex-2-enoate CAS Name: (E)-6-(6-aminopurin-9-yl)-4-hydroxy-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E)-6-(6-aminopurin-9-yl)-4-hydroxyhex-2-enoate Traditional Name: (E)-6-adenin-9-yl-4-hydroxy-hex-2-enoic acid ethyl ester Formula: C13H17N5O3 MolecularWeight: 291.30578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCN1C=NC2=C1N=CN=C2N)O

Isomeric SMILES

CCOC(=O)/C=C/C(CCN1C=NC2=C1N=CN=C2N)O

InChI

InChI=1S/C13H17N5O3/c1-2-21-10(20)4-3-9(19)5-6-18-8-17-11-12(14)15-7-16-13(11)18/h3-4,7-9,19H,2,5-6H2,1H3,(H2,14,15,16)/b4-3+