(1R,5S)-3-(2-fluorophenyl)sulfonyl-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (Q27215374)

BRD-K18359792-019-01-7 (English)

11 October 2016

chemical formula

C₂₁H₁₉FN₄O₂S

1 reference

BRD-K18359792-019-01-7 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2)CN1S(=O)(=O)C3=CC=CC=C3F)C4=CC=C(C=C4)C5=CN=CN=C5

1 reference

BRD-K18359792-019-01-7 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2)CN1S(=O)(=O)C3=CC=CC=C3F)C4=CC=C(C=C4)C5=CN=CN=C5

1 reference

BRD-K18359792-019-01-7 (English)

InChI=1S/C21H19FN4O2S/c22-17-3-1-2-4-20(17)29(27,28)26-11-18-21(19(12-26)25-18)15-7-5-14(6-8-15)16-9-23-13-24-10-16/h1-10,13,18-19,21,25H,11-12H2/t18-,19+,21?

11 October 2016

Identifiers

InChI

1 reference

BRD-K18359792-019-01-7 (English)

PSPRAYJRKITFGY-PMSBKCLSSA-N

11 October 2016

InChIKey

2 references

BRD-K18359792-019-01-7 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K18359792-019-01-7 (English)

matched by identifier from

11 October 2016

InChIKey

PSPRAYJRKITFGY-PMSBKCLSSA-N

ChEBI ID

125039

mapping relation type

2 references

(1R,5S)-3-(2-fluorophenyl)sulfonyl-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (English)