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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19N5O2
Molecular Weight 325.3651
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[[6-[(3S)-3-Amino-1-piperidinyl]-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl]methyl]benzonitrile

SMILES

N[C@H]1CCCN(C1)C2=CC(=O)NC(=O)N2CC3=C(C=CC=C3)C#N

InChI

InChIKey=KYXUNUKTHMZSLE-AWEZNQCLSA-N
InChI=1S/C17H19N5O2/c18-9-12-4-1-2-5-13(12)10-22-16(8-15(23)20-17(22)24)21-7-3-6-14(19)11-21/h1-2,4-5,8,14H,3,6-7,10-11,19H2,(H,20,23,24)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H19N5O2
Molecular Weight 325.3651
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:54:43 UTC 2023
Edited
by admin
on Sat Dec 16 19:54:43 UTC 2023
Record UNII
AAK29QV5QV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[6-[(3S)-3-Amino-1-piperidinyl]-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl]methyl]benzonitrile
Systematic Name English
N-Demethyl Alogliptin-2,2,2-trifluoroacetate
Common Name English
Benzonitrile, 2-[[6-[(3S)-3-amino-1-piperidinyl]-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl]methyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
AAK29QV5QV
Created by admin on Sat Dec 16 19:54:43 UTC 2023 , Edited by admin on Sat Dec 16 19:54:43 UTC 2023
PRIMARY
CAS
2726971-73-7
Created by admin on Sat Dec 16 19:54:43 UTC 2023 , Edited by admin on Sat Dec 16 19:54:43 UTC 2023
PRIMARY