155814-28-1
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(2-(3,4-DIMETHOXYPHENYL)ETHENYL)-1, 3-DI-2-PROPENYL-7-METHYL-, (E)-
Name
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(2-(3,4-DIMETHOXYPHENYL)ETHENYL)-1, 3-DI-2-PROPENYL-7-METHYL-, (E)-
Formula
C22 H24 N4 O4
MolWeight
408.456
1Identification
【Name】
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(2-(3,4-DIMETHOXYPHENYL)ETHENYL)-1, 3-DI-2-PROPENYL-7-METHYL-, (E)-
【CAS】
【MDL】
MFCD01757882
【English Synonyms】
【Formula】
C22 H24 N4 O4
【MolWeight】
408.456
【Inchi】
InChI=1S/C22H24N4O4/c1-6-12-25-20-19(21(27)26(13-7-2)22(25)28)24(3)18(23-20)11-9-15-8-10-16(29-4)17(14-15)30-5/h6-11,14H,1-2,12-13H2,3-5H3/b11-9+
【InChIKey】
InChIKey=MAOSHAJGFFNTGN-PKNBQFBNSA-N
【SMILES】
Cn1c(nc2c1c(=O)n(c(=O)n2CC=C)CC=C)/C=C/c3ccc(c(c3)OC)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-8-(2-(3,4-DIMETHOXYPHENYL)ETHENYL)-1, 3-DI-2-PROPENYL-7-METHYL-, (E)-.cml
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