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Details

Stereochemistry ACHIRAL
Molecular Formula C5H4N4O2
Molecular Weight 152.1109
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XANTHINE

SMILES

O=C1NC2=C(NC=N2)C(=O)N1

InChI

InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N
InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)

HIDE SMILES / InChI

Molecular Formula C5H4N4O2
Molecular Weight 152.1109
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

Substance Class Chemical
Record UNII
1AVZ07U9S7
Record Status Validated (UNII)
Record Version