66127-47-7
1H-PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE, 7-METHYL-6-PHENYL-
Name1H-PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE, 7-METHYL-6-PHENYL-
1Identification
【Name】
1H-PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE, 7-METHYL-6-PHENYL-
【CAS】
【MDL】
MFCD17013040
【English Synonyms】
【Formula】
C13 H11 N3 O2
【MolWeight】
241.249
【Inchi】
InChI=1S/C13H11N3O2/c1-7-9(8-5-3-2-4-6-8)14-11-10(7)15-13(18)16-12(11)17/h2-6,14H,1H3,(H2,15,16,17,18)
【InChIKey】
InChIKey=HZVNFUUJKRASDB-UHFFFAOYSA-N
【SMILES】
Cc1c2c(c(=O)[nH]c(=O)[nH]2)[nH]c1c3ccccc3
【MOL File】
1H-PYRROLO[3,2-D]PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PYRROLO[3,2-D]PYRIMIDINE-2,4(3H,5H)-DIONE, 7-METHYL-6-PHENYL-.cml