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Details

Stereochemistry ACHIRAL
Molecular Formula C18H19ClFN7O
Molecular Weight 403.841
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[(3-Chloro-4-fluorophenyl)amino]-6-[(1-methylpiperidin-4-yl)amino]-2H,3H-[1,3]diazino[5,4-d]pyrimidin-2-one

SMILES

CN1CCC(CC1)NC2=NC3=C(NC(=O)N=C3NC4=CC=C(F)C(Cl)=C4)C=N2

InChI

InChIKey=QWHFRHBBDNBQOV-UHFFFAOYSA-N
InChI=1S/C18H19ClFN7O/c1-27-6-4-10(5-7-27)23-17-21-9-14-15(25-17)16(26-18(28)24-14)22-11-2-3-13(20)12(19)8-11/h2-3,8-10H,4-7H2,1H3,(H,21,23,25)(H2,22,24,26,28)

HIDE SMILES / InChI

Molecular Formula C18H19ClFN7O
Molecular Weight 403.841
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 Wed Apr 02 00:32:11 GMT 2025
Edited
by admin
on Wed Apr 02 00:32:11 GMT 2025
Record UNII
YW3YKG2BJR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[(3-Chloro-4-fluorophenyl)amino]-6-[(1-methylpiperidin-4-yl)amino]-2H,3H-[1,3]diazino[5,4-d]pyrimidin-2-one
Systematic Name English
BIBU-1476
Preferred Name English
PYRIMIDO(5,4-D)PYRIMIDIN-2(1H)-ONE, 4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-6-((1-METHYL-4-PIPERIDINYL)AMINO)-
Systematic Name English
BIBU1476
Common Name English
4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-6-((1-METHYL-4-PIPERIDINYL)AMINO)PYRIMIDO(5,4-D)PYRIMIDIN-2(1H)-ONE
Systematic Name English
Code System Code Type Description
CAS
848085-41-6
Created by admin on Wed Apr 02 00:32:12 GMT 2025 , Edited by admin on Wed Apr 02 00:32:12 GMT 2025
PRIMARY
FDA UNII
YW3YKG2BJR
Created by admin on Wed Apr 02 00:32:12 GMT 2025 , Edited by admin on Wed Apr 02 00:32:12 GMT 2025
PRIMARY
PUBCHEM
118753075
Created by admin on Wed Apr 02 00:32:12 GMT 2025 , Edited by admin on Wed Apr 02 00:32:12 GMT 2025
PRIMARY
Related Record Type Details
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