549488-48-4
4H-PYRIMIDO[5,4-B]INDOL-4-ONE, 8-ETHYL-3,5-DIHYDRO-
Name4H-PYRIMIDO[5,4-B]INDOL-4-ONE, 8-ETHYL-3,5-DIHYDRO-
1Identification
【Name】
4H-PYRIMIDO[5,4-B]INDOL-4-ONE, 8-ETHYL-3,5-DIHYDRO-
【CAS】
【MDL】
MFCD17013901
【English Synonyms】
【Formula】
C12 H11 N3 O
【MolWeight】
213.239
【Inchi】
InChI=1S/C12H11N3O/c1-2-7-3-4-9-8(5-7)10-11(15-9)12(16)14-6-13-10/h3-6,15H,2H2,1H3,(H,13,14,16)
【InChIKey】
InChIKey=VSXQGENJDSNTPE-UHFFFAOYSA-N
【SMILES】
CCc1ccc2c(c1)c3c([nH]2)c(=O)[nH]cn3
【MOL File】
4H-PYRIMIDO[5,4-B]IN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4H-PYRIMIDO[5,4-B]INDOL-4-ONE, 8-ETHYL-3,5-DIHYDRO-.cml