33265-56-4
6-PHENYLTHIO-2,4,7-TRIAMINOPTERIDINE
Name6-PHENYLTHIO-2,4,7-TRIAMINOPTERIDINE
1Identification
【Name】
6-PHENYLTHIO-2,4,7-TRIAMINOPTERIDINE
【CAS】
【MDL】
MFCD00054579
【English Synonyms】
【Formula】
C12 H11 N7 S
【MolWeight】
285.334
【Inchi】
InChI=1S/C12H11N7S/c13-8-7-10(19-12(15)18-8)17-9(14)11(16-7)20-6-4-2-1-3-5-6/h1-5H,(H6,13,14,15,17,18,19)
【InChIKey】
InChIKey=YJQPOSBJBPPCBQ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)Sc2c(nc3c(n2)c(nc(n3)N)N)N
【MOL File】
6-PHENYLTHIO-2,4,7-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-PHENYLTHIO-2,4,7-TRIAMINOPTERIDINE.cml