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Details

Stereochemistry MIXED
Molecular Formula C9H12ClN5O3
Molecular Weight 273.676
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-IMIDAZOLE-4,5-DIOL, 2-((4-CHLORO-6-METHOXY-2-METHYL-5-PYRIMIDINYL)AMINO)-4,5-DIHYDRO-

SMILES

COC1=C(NC2=NC(O)C(O)N2)C(Cl)=NC(C)=N1

InChI

InChIKey=AJLIQYQVWUFUFR-UHFFFAOYSA-N
InChI=1S/C9H12ClN5O3/c1-3-11-5(10)4(8(12-3)18-2)13-9-14-6(16)7(17)15-9/h6-7,16-17H,1-2H3,(H2,13,14,15)

HIDE SMILES / InChI

Molecular Formula C9H12ClN5O3
Molecular Weight 273.676
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
M3U6A05HJ4
Record Status Validated (UNII)
Record Version