872266-03-0
1H-PURINE-2,6,8(3H)-TRIONE, TETRAHYDRO-
Name1H-PURINE-2,6,8(3H)-TRIONE, TETRAHYDRO-
1Identification
【Name】
1H-PURINE-2,6,8(3H)-TRIONE, TETRAHYDRO-
【CAS】
【MDL】
MFCD16878703
【English Synonyms】
【Formula】
C5 H6 N4 O3
【MolWeight】
170.127
【Inchi】
InChI=1S/C5H6N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h1-2H,(H2,6,7,11)(H2,8,9,10,12)
【InChIKey】
InChIKey=TVWHNULVHGKJHS-UHFFFAOYSA-N
【SMILES】
C12C(NC(=O)N1)NC(=O)NC2=O
【MOL File】
1H-PURINE-2,6,8(3H)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:7
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PURINE-2,6,8(3H)-TRIONE, TETRAHYDRO-.cml