167224-20-6
PROPYL 5-[4-(2,4,7-TRIAMINOPTERIDIN-6-YL)PHENOXY]PENTANOATE
NamePROPYL 5-[4-(2,4,7-TRIAMINOPTERIDIN-6-YL)PHENOXY]PENTANOATE
1Identification
【Name】
PROPYL 5-[4-(2,4,7-TRIAMINOPTERIDIN-6-YL)PHENOXY]PENTANOATE
【CAS】
【MDL】
MFCD01766332
【English Synonyms】
【Formula】
C20 H25 N7 O3
【MolWeight】
411.464
【Inchi】
InChI=1S/C20H25N7O3/c1-2-10-30-14(28)5-3-4-11-29-13-8-6-12(7-9-13)15-17(21)25-19-16(24-15)18(22)26-20(23)27-19/h6-9H,2-5,10-11H2,1H3,(H6,21,22,23,25,26,27)
【InChIKey】
InChIKey=ZHFNFZCSEJGXHR-UHFFFAOYSA-N
【SMILES】
CCCOC(=O)CCCCOc1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N
【MOL File】
PROPYL 5-[4-(2,4,7-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:10
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PROPYL 5-[4-(2,4,7-TRIAMINOPTERIDIN-6-YL)PHENOXY]PENTANOATE.cml