(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (Q27215353)

BRD-K09333299-019-01-1 (English)

11 October 2016

chemical formula

C₂₄H₂₆N₄O₂

1 reference

BRD-K09333299-019-01-1 (English)

11 October 2016

canonical SMILES

COC1=CC(=CC(=C1)CN2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CN=CN=C5)OC

1 reference

BRD-K09333299-019-01-1 (English)

11 October 2016

isomeric SMILES

COC1=CC(=CC(=C1)CN2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CN=CN=C5)OC

1 reference

BRD-K09333299-019-01-1 (English)

InChI=1S/C24H26N4O2/c1-29-20-7-16(8-21(9-20)30-2)12-28-13-22-24(23(14-28)27-22)18-5-3-17(4-6-18)19-10-25-15-26-11-19/h3-11,15,22-24,27H,12-14H2,1-2H3/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K09333299-019-01-1 (English)

OXQDGXHZPCPXBO-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K09333299-019-01-1 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K09333299-019-01-1 (English)

matched by identifier from

11 October 2016

InChIKey

OXQDGXHZPCPXBO-VSGJHWFKSA-N

ChEBI ID

125018

mapping relation type

2 references

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