rilpivirine(1+) (Q27137043)

rilpivirine cation (English)

7 October 2016

chemical formula

C₂₂H₁₉N₆⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

[H+].CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)C=CC#N

1 reference

rilpivirine cation (English)

7 October 2016

isomeric SMILES

[H+].CC1=CC(=CC(=C1NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C)/C=C/C#N

1 reference

rilpivirine cation (English)

InChI=1S/C22H18N6/c1-15-12-18(4-3-10-23)13-16(2)21(15)27-20-9-11-25-22(28-20)26-19-7-5-17(14-24)6-8-19/h3-9,11-13H,1-2H3,(H2,25,26,27,28)/p+1/b4-3+

7 October 2016

Identifiers

InChI

1 reference

rilpivirine cation (English)

YIBOMRUWOWDFLG-ONEGZZNKSA-O

7 October 2016

InChIKey

2 references

rilpivirine cation (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Benzonitrile, 4-[[4-[[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]-, hydrogen salt (English)

7 October 2016

2 references

rilpivirine cation (English)

matched by identifier from

7 October 2016

InChIKey

YIBOMRUWOWDFLG-ONEGZZNKSA-O

ChEBI ID

68605

mapping relation type

2 references

rilpivirine(1+) (English)