59547-59-0
1H-PURINE-2,6-DIONE, 7-(4-AMINOBENZOYL)-3,7-DIHYDRO-1,3-DIMETHYL-
Name1H-PURINE-2,6-DIONE, 7-(4-AMINOBENZOYL)-3,7-DIHYDRO-1,3-DIMETHYL-
1Identification
【Name】
1H-PURINE-2,6-DIONE, 7-(4-AMINOBENZOYL)-3,7-DIHYDRO-1,3-DIMETHYL-
【CAS】
【MDL】
MFCD18809306
【English Synonyms】
【Formula】
C14 H13 N5 O3
【MolWeight】
299.289
【Inchi】
InChI=1S/C14H13N5O3/c1-17-11-10(13(21)18(2)14(17)22)19(7-16-11)12(20)8-3-5-9(15)6-4-8/h3-7H,15H2,1-2H3
【InChIKey】
InChIKey=WGVYIUJWNZQLMC-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)n(c1=O)C)n(cn2)C(=O)c3ccc(cc3)N
【MOL File】
1H-PURINE-2,6-DIONE,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PURINE-2,6-DIONE, 7-(4-AMINOBENZOYL)-3,7-DIHYDRO-1,3-DIMETHYL-.cml