121218-41-5
3,5-DIHYDRO-7,8-DIMETHOXY-4H-PYRIMIDO[5,4-B]INDOL-4-ONE
Name3,5-DIHYDRO-7,8-DIMETHOXY-4H-PYRIMIDO[5,4-B]INDOL-4-ONE
1Identification
【Name】
3,5-DIHYDRO-7,8-DIMETHOXY-4H-PYRIMIDO[5,4-B]INDOL-4-ONE
【CAS】
【MDL】
MFCD03266283
【English Synonyms】
【Formula】
C12 H11 N3 O3
【MolWeight】
245.237
【Inchi】
InChI=1S/C12H11N3O3/c1-17-8-3-6-7(4-9(8)18-2)15-11-10(6)13-5-14-12(11)16/h3-5,15H,1-2H3,(H,13,14,16)
【InChIKey】
InChIKey=GPUSTTBPZCBZHQ-UHFFFAOYSA-N
【SMILES】
COc1cc2c(cc1OC)[nH]c3c2nc[nH]c3=O
【MOL File】
3,5-DIHYDRO-7,8-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,5-DIHYDRO-7,8-DIMETHOXY-4H-PYRIMIDO[5,4-B]INDOL-4-ONE.cml