(Q27215350)

BRD-K06212126-019-01-9 (English)

11 October 2016

chemical formula

C₂₅H₂₇N₅O

1 reference

BRD-K06212126-019-01-9 (English)

11 October 2016

canonical SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)CC5=CN=CN=C5

1 reference

BRD-K06212126-019-01-9 (English)

11 October 2016

isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)CC5=CN=CN=C5

1 reference

BRD-K06212126-019-01-9 (English)

InChI=1S/C25H27N5O/c1-29(2)25(31)21-9-5-19(6-10-21)18-3-7-20(8-4-18)24-22-14-30(15-23(24)28-22)13-17-11-26-16-27-12-17/h3-12,16,22-24,28H,13-15H2,1-2H3/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K06212126-019-01-9 (English)

CJCIFMWOBWFRHE-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K06212126-019-01-9 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K06212126-019-01-9 (English)

11 October 2016

ChEBI ID

125015

mapping relation type

1 reference