67855-90-7
7-METHYL-1H-PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE
Name7-METHYL-1H-PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE
1Identification
【Name】
7-METHYL-1H-PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE
【CAS】
【MDL】
MFCD13183829
【English Synonyms】
【Formula】
C7 H7 N3 O2
【MolWeight】
165.151
【Inchi】
InChI=1S/C7H7N3O2/c1-3-2-8-5-4(3)9-7(12)10-6(5)11/h2,8H,1H3,(H2,9,10,11,12)
【InChIKey】
InChIKey=NOVWLZKMSUVARK-UHFFFAOYSA-N
【SMILES】
Cc1c[nH]c2c1[nH]c(=O)[nH]c2=O
【MOL File】
7-METHYL-1H-PYRROLO[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
7-METHYL-1H-PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE.cml