58192-87-3
1,7-DIHYDRO-7,8-DIMETHYL-6H-PURIN-6-ONE
Name1,7-DIHYDRO-7,8-DIMETHYL-6H-PURIN-6-ONE
1Identification
【Name】
1,7-DIHYDRO-7,8-DIMETHYL-6H-PURIN-6-ONE
【CAS】
【MDL】
MFCD21336448
【English Synonyms】
【Formula】
C7 H8 N4 O
【MolWeight】
164.167
【Inchi】
InChI=1S/C7H8N4O/c1-4-10-6-5(11(4)2)7(12)9-3-8-6/h3H,1-2H3,(H,8,9,12)
【InChIKey】
InChIKey=FVRXFPCSOCLHAU-UHFFFAOYSA-N
【SMILES】
Cc1nc2c(n1C)c(=O)[nH]cn2
【MOL File】
1,7-DIHYDRO-7,8-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,7-DIHYDRO-7,8-DIMETHYL-6H-PURIN-6-ONE.cml