501647-64-9
2H-PYRIMIDO[4,5-B]INDOL-2-ONE, 4-ETHYL-1,3-DIHYDRO-
Name2H-PYRIMIDO[4,5-B]INDOL-2-ONE, 4-ETHYL-1,3-DIHYDRO-
1Identification
【Name】
2H-PYRIMIDO[4,5-B]INDOL-2-ONE, 4-ETHYL-1,3-DIHYDRO-
【CAS】
【MDL】
MFCD18815015
【English Synonyms】
【Formula】
C12 H11 N3 O
【MolWeight】
213.239
【Inchi】
InChI=1S/C12H11N3O/c1-2-8-10-7-5-3-4-6-9(7)13-11(10)15-12(16)14-8/h3-6H,2H2,1H3,(H2,13,14,15,16)
【InChIKey】
InChIKey=ZLVFUHXLCAISQK-UHFFFAOYSA-N
【SMILES】
CCc1c-2c3ccccc3nc2[nH]c(=O)[nH]1
【MOL File】
2H-PYRIMIDO[4,5-B]IN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2H-PYRIMIDO[4,5-B]INDOL-2-ONE, 4-ETHYL-1,3-DIHYDRO-.cml