155581-78-5
7-BENZYL-1,3-DIMETHYL-8-NITRO-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Name
7-BENZYL-1,3-DIMETHYL-8-NITRO-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Formula
C14 H13 N5 O4
MolWeight
315.288
1Identification
【Name】
7-BENZYL-1,3-DIMETHYL-8-NITRO-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
【CAS】
【MDL】
MFCD02049363
【English Synonyms】
【Formula】
C14 H13 N5 O4
【MolWeight】
315.288
【Inchi】
InChI=1S/C14H13N5O4/c1-16-11-10(12(20)17(2)14(16)21)18(13(15-11)19(22)23)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
【InChIKey】
InChIKey=QXODFOCFKAUFBE-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(c(n2)[N+](=O)[O-])Cc3ccccc3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-BENZYL-1,3-DIMETHYL-8-NITRO-3,7-DIHYDRO-1H-PURINE-2,6-DIONE.cml
Quick Release
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Sigma-Aldrich Corporation
Catalog No:L249335-1EA 10MG
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Catalog No:L249335-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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