Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C13H19N5.H2O |
Molecular Weight | 263.3387 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.C[C@@H](NC(NC1=CC=NC=C1)=NC#N)C(C)(C)C
InChI
InChIKey=AFJCNBBHEVLGCZ-HNCPQSOCSA-N
InChI=1S/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2/t10-;/m1./s1
Molecular Formula | C13H19N5 |
Molecular Weight | 245.3235 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
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
Sat Dec 16 11:48:46 GMT 2023
by
admin
on
Sat Dec 16 11:48:46 GMT 2023
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Record UNII |
MC0YM9ED7P
|
Record Status |
Validated (UNII)
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Record Version |
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-
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MC0YM9ED7P
Created by
admin on Sat Dec 16 11:48:46 GMT 2023 , Edited by admin on Sat Dec 16 11:48:46 GMT 2023
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76964022
Created by
admin on Sat Dec 16 11:48:46 GMT 2023 , Edited by admin on Sat Dec 16 11:48:46 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |