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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20N6O
Molecular Weight 288.3482
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3R,4R)-3-[(6-Amino-4-pyrimidinyl)methylamino]-4-methyl-β-oxo-1-piperidinepropanenitrile

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC(N)=C2)C(=O)CC#N

InChI

InChIKey=ZLDFVEOEPGYRPF-MNOVXSKESA-N
InChI=1S/C14H20N6O/c1-10-4-6-20(14(21)3-5-15)8-11(10)19(2)13-7-12(16)17-9-18-13/h7,9-11H,3-4,6,8H2,1-2H3,(H2,16,17,18)/t10-,11+/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H20N6O
Molecular Weight 288.3482
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:50:10 UTC 2023
Edited
by admin
on Sat Dec 16 18:50:10 UTC 2023
Record UNII
DH976M4JSH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R,4R)-3-[(6-Amino-4-pyrimidinyl)methylamino]-4-methyl-β-oxo-1-piperidinepropanenitrile
Systematic Name English
1-Piperidinepropanenitrile, 3-[(6-amino-4-pyrimidinyl)methylamino]-4-methyl-β-oxo-, (3R,4R)-
Systematic Name English
Code System Code Type Description
FDA UNII
DH976M4JSH
Created by admin on Sat Dec 16 18:50:10 UTC 2023 , Edited by admin on Sat Dec 16 18:50:10 UTC 2023
PRIMARY
PUBCHEM
125505531
Created by admin on Sat Dec 16 18:50:10 UTC 2023 , Edited by admin on Sat Dec 16 18:50:10 UTC 2023
PRIMARY
CAS
1640971-60-3
Created by admin on Sat Dec 16 18:50:10 UTC 2023 , Edited by admin on Sat Dec 16 18:50:10 UTC 2023
PRIMARY
Related Record Type Details
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