2-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione (Q27167028)

CHEMBL604195 (English)

10 October 2016

chemical formula

C₁₀H₁₃N₅O₄S

1 reference

CHEMBL604195 (English)

10 October 2016

canonical SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=S)N

1 reference

CHEMBL604195 (English)

10 October 2016

isomeric SMILES

C1=NC2=C(N1C3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=S)N

1 reference

CHEMBL604195 (English)

InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9?/m1/s1

10 October 2016

Identifiers

InChI

1 reference

CHEMBL604195 (English)

OTDJAMXESTUWLO-LZGMGDPASA-N

10 October 2016

InChIKey

2 references

CHEMBL604195 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-Amino-9beta-D-ribofuranosyl-9H-purine-6-thiol (English)

10 October 2016

2 references

CHEMBL604195 (English)

matched by identifier from

10 October 2016

InChIKey

OTDJAMXESTUWLO-LZGMGDPASA-N

ChEBI ID

95211

mapping relation type

2 references

2-amino-9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione (English)