71435-39-7
3,5-DIHYDRO-7-PHENYL-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
Name3,5-DIHYDRO-7-PHENYL-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
1Identification
【Name】
3,5-DIHYDRO-7-PHENYL-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD17018626
【English Synonyms】
【Formula】
C12 H9 N3 O
【MolWeight】
211.223
【Inchi】
InChI=1S/C12H9N3O/c16-12-11-10(14-7-15-12)9(6-13-11)8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16)
【InChIKey】
InChIKey=FRFOBNOUFSXEHO-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2c[nH]c3c2nc[nH]c3=O
【MOL File】
3,5-DIHYDRO-7-PHENYL….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
3,5-DIHYDRO-7-PHENYL-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE.cml