Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H21ClN4O2.ClH |
| Molecular Weight | 421.32 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC1=NC(N)=NC(N)=C1OCCCOC2=CC=C(C=C2)C3=CC=C(Cl)C=C3
InChI
InChIKey=RUMUFGOFNCESLK-UHFFFAOYSA-N
InChI=1S/C20H21ClN4O2.ClH/c1-13-18(19(22)25-20(23)24-13)27-12-2-11-26-17-9-5-15(6-10-17)14-3-7-16(21)8-4-14;/h3-10H,2,11-12H2,1H3,(H4,22,23,24,25);1H
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C20H21ClN4O2 |
| Molecular Weight | 384.859 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 16:54:31 GMT 2025
by
admin
on
Tue Apr 01 16:54:31 GMT 2025
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| Record UNII |
RR797YYQ5W
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| Record Status |
Validated (UNII)
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| Record Version |
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83402-97-5
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280-444-1
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RR797YYQ5W
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DTXSID80232322
Created by
admin on Tue Apr 01 16:54:31 GMT 2025 , Edited by admin on Tue Apr 01 16:54:31 GMT 2025
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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![Structure of 5-[3-[(4?-Chloro[1,1?-biphenyl]-4-yl)oxy]propoxy]-6-methyl-2,4-pyrimidinediamine](/img/885b9bac-d650-4470-942d-6f69d3592e42.svg "Structure of 5-[3-[(4?-Chloro[1,1?-biphenyl]-4-yl)oxy]propoxy]-6-methyl-2,4-pyrimidinediamine")