(2S,3R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide (Q27189553)

5'-N-Ethylcarboxamidoadenosine (English)

10 October 2016

chemical formula

C₁₂H₁₆N₆O₄

1 reference

5'-N-Ethylcarboxamidoadenosine (English)

10 October 2016

canonical SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

1 reference

5'-N-Ethylcarboxamidoadenosine (English)

10 October 2016

isomeric SMILES

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

1 reference

5'-N-Ethylcarboxamidoadenosine (English)

InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7?,8+,12-/m1/s1

10 October 2016

Identifiers

InChI

1 reference

5'-N-Ethylcarboxamidoadenosine (English)

JADDQZYHOWSFJD-RWFUBLIZSA-N

10 October 2016

InChIKey

2 references

5'-N-Ethylcarboxamidoadenosine (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R,5R)-5-(6-Amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydro-2-furancarboxamide (English)

10 October 2016

1 reference

5'-N-Ethylcarboxamidoadenosine (English)

10 October 2016

ChEBI ID

110172

mapping relation type

2 references

(2S,3R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide (English)