xanthine
C5H4N4O2
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03342538
SMILESC1=NC2=C(N1)C(=O)NC(=O)N2
InChIKeyLRFVTYWOQMYALW-UHFFFAOYSA-N
XLogP-0.7
TPSA86.9 Ų
Complexity217
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds0
Charge0
PubChem CID1188
Also Known As
xanthine69-89-62,6-Dihydroxypurine2,6-dioxopurineXanthinIsoxanthineXanthic oxide1H-Purine-2,6-diolPseudoxanthine9H-Purine-2,6-diol3,7-Dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-Purine-2,6-diol3,7-dihydropurine-2,6-dione2,6(1,3)-Purinedion3,9-dihydro-1H-purine-2,6-dione2,6-Dioxo-1,2,3,6-tetrahydropurine1H-Purine-2,6-dione, 3,9-dihydro-9H-Purine-2,6-(1H,3H)-dionePurine-2,6(1H,3H)-dione