(2S,3R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]-9-purinyl]-N-methyl-2-oxolanecarboxamide (Q27163545)

SCHEMBL8922766 (English)

9 October 2016

chemical formula

C₁₈H₁₉IN₆O₄

1 reference

SCHEMBL8922766 (English)

9 October 2016

canonical SMILES

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O

1 reference

SCHEMBL8922766 (English)

9 October 2016

isomeric SMILES

CNC(=O)[C@@H]1[C@@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)O)O

1 reference

SCHEMBL8922766 (English)

InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13?,14+,18-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

SCHEMBL8922766 (English)

HUJXGQILHAUCCV-FEWYLQRLSA-N

9 October 2016

InChIKey

2 references

SCHEMBL8922766 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2S,3R,5R)-3,4-Dihydroxy-5-{6-[(3-iodobenzyl)amino]-9H-purin-9-yl}-N-methyltetrahydro-2-furancarboxamide (English)

9 October 2016

1 reference

SCHEMBL8922766 (English)

9 October 2016

ChEBI ID

91733

mapping relation type

2 references

(2S,3R,5R)-3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]-9-purinyl]-N-methyl-2-oxolanecarboxamide (English)