(1S,5R)-7-[4-(2-methylphenyl)phenyl]-3-(5-pyrimidinylmethyl)-3,6-diazabicyclo[3.1.1]heptane (Q27215331)

BRD-K00233837-019-01-1 (English)

11 October 2016

chemical formula

C₂₃H₂₄N₄

1 reference

BRD-K00233837-019-01-1 (English)

11 October 2016

canonical SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3C4CN(CC3N4)CC5=CN=CN=C5

1 reference

BRD-K00233837-019-01-1 (English)

11 October 2016

isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)CC5=CN=CN=C5

1 reference

BRD-K00233837-019-01-1 (English)

InChI=1S/C23H24N4/c1-16-4-2-3-5-20(16)18-6-8-19(9-7-18)23-21-13-27(14-22(23)26-21)12-17-10-24-15-25-11-17/h2-11,15,21-23,26H,12-14H2,1H3/t21-,22+,23?

11 October 2016

Identifiers

InChI

1 reference

BRD-K00233837-019-01-1 (English)

PQDQNYFYDRGGNI-AIZNXBIQSA-N

11 October 2016

InChIKey

2 references

BRD-K00233837-019-01-1 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K00233837-019-01-1 (English)

matched by identifier from

11 October 2016

InChIKey

PQDQNYFYDRGGNI-AIZNXBIQSA-N

ChEBI ID

124998

mapping relation type

2 references

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