1062517-27-4
1H-PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE, 6,7-DIMETHYL-
Name1H-PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE, 6,7-DIMETHYL-
1Identification
【Name】
1H-PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE, 6,7-DIMETHYL-
【CAS】
【MDL】
MFCD17012961
【English Synonyms】
【Formula】
C8 H9 N3 O2
【MolWeight】
179.178
【Inchi】
InChI=1S/C8H9N3O2/c1-3-4(2)9-6-5(3)10-8(13)11-7(6)12/h9H,1-2H3,(H2,10,11,12,13)
【InChIKey】
InChIKey=SGGRCDWTISYPFX-UHFFFAOYSA-N
【SMILES】
Cc1c([nH]c2c1[nH]c(=O)[nH]c2=O)C
【MOL File】
1H-PYRROLO[3,2-D]PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE, 6,7-DIMETHYL-.cml