56107-39-2
6-(4-TERT-BUTYLPHENYLTHIO)-2,4,7-TRIAMINOPTERIDINE
Name6-(4-TERT-BUTYLPHENYLTHIO)-2,4,7-TRIAMINOPTERIDINE
1Identification
【Name】
6-(4-TERT-BUTYLPHENYLTHIO)-2,4,7-TRIAMINOPTERIDINE
【CAS】
【MDL】
MFCD00047583
【English Synonyms】
【Formula】
C16 H19 N7 S
【MolWeight】
341.441
【Inchi】
InChI=1S/C16H19N7S/c1-16(2,3)8-4-6-9(7-5-8)24-14-12(18)21-13-10(20-14)11(17)22-15(19)23-13/h4-7H,1-3H3,(H6,17,18,19,21,22,23)
【InChIKey】
InChIKey=BOQNWLKVDKYELL-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc(cc1)Sc2c(nc3c(n2)c(nc(n3)N)N)N
【MOL File】
6-(4-TERT-BUTYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-(4-TERT-BUTYLPHENYLTHIO)-2,4,7-TRIAMINOPTERIDINE.cml