155271-82-2
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIETHYL-8-(2-(3-NITROPHENYL)ETHEN YL)-, (E)-
Name1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIETHYL-8-(2-(3-NITROPHENYL)ETHEN YL)-, (E)-
1Identification
【Name】
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIETHYL-8-(2-(3-NITROPHENYL)ETHEN YL)-, (E)-
【CAS】
【MDL】
MFCD01757850
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H17 N5 O4
【pro_molWeight】
355.352
【Inchi】
InChI=1S/C17H17N5O4/c1-3-20-15-14(16(23)21(4-2)17(20)24)18-13(19-15)9-8-11-6-5-7-12(10-11)22(25)26/h5-10H,3-4H2,1-2H3,(H,18,19)/b9-8+
【InChIKey】
InChIKey=YTPVZGZXIQZGGU-CMDGGOBGSA-N
【SMILES】
CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3cccc(c3)[N+](=O)[O-]
【MOL File】
1H-PURINE-2,6-DIONE,….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:9
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIETHYL-8-(2-(3-NITROPHENYL)ETHEN YL)-, (E)-.cml