(Q27096816)

(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE (English)

19 October 2016

chemical formula

C₁₈H₁₅BrN₅⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1=CC(=CC(=C1)Br)C2=CC(=[N+]3C(=N2)C=CN3)NCC4=CC=NC=C4

1 reference

(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE (English)

InChI=1S/C18H14BrN5/c19-15-3-1-2-14(10-15)16-11-18(24-17(23-16)6-9-22-24)21-12-13-4-7-20-8-5-13/h1-11H,12H2,(H,21,22,23)/p+1

19 October 2016

Identifiers

InChI

1 reference

(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE (English)

WSIQKQLAGWVKSL-UHFFFAOYSA-O

19 October 2016

InChIKey

1 reference

(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE (English)

19 October 2016

1 reference

5-(3-Bromophenyl)-7-[(4-pyridinylmethyl)amino]-1H-pyrazolo[1,5-a]pyrimidin-8-ium (English)

19 October 2016

1 reference

(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE (English)

19 October 2016

1 reference

1 reference

(5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDROPYRAZOLO[1,5-A]PYRIMIDIN-7-AMINE (English)

19 October 2016

0 references

0 references

1 reference

2C68 (English)