156601-62-6
3,5-DIHYDRO-7-(PHENYLMETHYL)-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
Name3,5-DIHYDRO-7-(PHENYLMETHYL)-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
1Identification
【Name】
3,5-DIHYDRO-7-(PHENYLMETHYL)-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD00935912
【English Synonyms】
【Formula】
C13 H11 N3 O
【MolWeight】
225.25
【Inchi】
InChI=1S/C13H11N3O/c17-13-12-11(15-8-16-13)10(7-14-12)6-9-4-2-1-3-5-9/h1-5,7-8,14H,6H2,(H,15,16,17)
【InChIKey】
InChIKey=XTZNEYRTGZTVGE-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Cc2c[nH]c3c2nc[nH]c3=O
【MOL File】
3,5-DIHYDRO-7-(PHENY….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-(PHENYLMETHYL)-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE.cml