9-[(4aR,6R,7S)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanylpurin-6-amine (Q27165660)

BRD-A81936046-323-01-6 (English)

9 October 2016

chemical formula

C₁₇H₁₇ClN₅O₆PS

1 reference

BRD-A81936046-323-01-6 (English)

9 October 2016

canonical SMILES

COC1C2C(COP(=O)(O2)O)OC1N3C4=C(C(=NC=N4)N)N=C3SC5=CC=C(C=C5)Cl

1 reference

BRD-A81936046-323-01-6 (English)

9 October 2016

isomeric SMILES

CO[C@@H]1[C@@H](O[C@H]2C1OP(=O)(OC2)O)N3C4=C(C(=NC=N4)N)N=C3SC5=CC=C(C=C5)Cl

1 reference

BRD-A81936046-323-01-6 (English)

InChI=1S/C17H17ClN5O6PS/c1-26-13-12-10(6-27-30(24,25)29-12)28-16(13)23-15-11(14(19)20-7-21-15)22-17(23)31-9-4-2-8(18)3-5-9/h2-5,7,10,12-13,16H,6H2,1H3,(H,24,25)(H2,19,20,21)/t10-,12?,13+,16-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

BRD-A81936046-323-01-6 (English)

BCGHHRAUZWOTNH-ZIWBQIBKSA-N

9 October 2016

InChIKey

2 references

BRD-A81936046-323-01-6 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-A81936046-323-01-6 (English)

matched by identifier from

9 October 2016

InChIKey

BCGHHRAUZWOTNH-ZIWBQIBKSA-N

ChEBI ID

93906

mapping relation type

2 references

9-[(4aR,6R,7S)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-(4-chlorophenyl)sulfanylpurin-6-amine (English)