Mant-Adp (Q27094074)

SCHEMBL564745 (English)

4 October 2016

chemical formula

C₁₈H₂₂N₆O₁₀P₂

1 reference

SCHEMBL564745 (English)

4 October 2016

canonical SMILES

CNC1=CC=CC=C1C(=O)OC2CC(OC2COP(=O)(O)OP(=O)(O)O)N3C=NC4=C3N=CN=C4N

1 reference

SCHEMBL564745 (English)

4 October 2016

isomeric SMILES

CNC1=CC=CC=C1C(=O)O[C@@H]2C[C@@H](O[C@H]2COP(=O)(O)OP(=O)(O)O)N3C=NC4=C3N=CN=C4N

1 reference

SCHEMBL564745 (English)

InChI=1S/C18H22N6O10P2/c1-20-11-5-3-2-4-10(11)18(25)33-12-6-14(24-9-23-15-16(19)21-8-22-17(15)24)32-13(12)7-31-36(29,30)34-35(26,27)28/h2-5,8-9,12-14,20H,6-7H2,1H3,(H,29,30)(H2,19,21,22)(H2,26,27,28)/t12-,13+,14-/m1/s1

4 October 2016

Identifiers

InChI

1 reference

SCHEMBL564745 (English)

QPKUEBLEGWBRHC-HZSPNIEDSA-N

4 October 2016

InChIKey

1 reference

SCHEMBL564745 (English)

4 October 2016

1 reference

9-{2-Deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-3-O-[2-(methylamino)benzoyl]-alpha-L-erythro-pentofuranosyl}-9H-purin-6-amine (English)

4 October 2016

2 references

SCHEMBL564745 (English)