155272-00-7
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIETHYL-8-(2-(7-METHOXY-1,3-BENZO DIOXOL-5-YL)ETHENYL)-7-METHYL-, (E)-
Name1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIETHYL-8-(2-(7-METHOXY-1,3-BENZO DIOXOL-5-YL)ETHENYL)-7-METHYL-, (E)-
1Identification
【Name】
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIETHYL-8-(2-(7-METHOXY-1,3-BENZO DIOXOL-5-YL)ETHENYL)-7-METHYL-, (E)-
【CAS】
【MDL】
MFCD00928425
【English Synonyms】
【Formula】
C20 H22 N4 O5
【MolWeight】
398.417
【Inchi】
InChI=1S/C20H22N4O5/c1-5-23-18-16(19(25)24(6-2)20(23)26)22(3)15(21-18)8-7-12-9-13(27-4)17-14(10-12)28-11-29-17/h7-10H,5-6,11H2,1-4H3/b8-7+
【InChIKey】
InChIKey=SIWPOSYYZOQAMH-BQYQJAHWSA-N
【SMILES】
CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cc4c(c(c3)OC)OCO4)C
【MOL File】
1H-PURINE-2,6-DIONE,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIETHYL-8-(2-(7-METHOXY-1,3-BENZO DIOXOL-5-YL)ETHENYL)-7-METHYL-, (E)-.cml