1245648-55-8
4-(4-METHYLTHIOPHEN-2-YL)-N-(4-(MORPHOLINOMETHYL)PHENYL)-7-TOSYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
Name
4-(4-METHYLTHIOPHEN-2-YL)-N-(4-(MORPHOLINOMETHYL)PHENYL)-7-TOSYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
Formula
C29 H29 N5 O3 S2
MolWeight
559.712
1Identification
【Name】
4-(4-METHYLTHIOPHEN-2-YL)-N-(4-(MORPHOLINOMETHYL)PHENYL)-7-TOSYL-7H-PYRROLO[2,3-D]PYRIMIDIN-2-AMINE
【CAS】
【MDL】
MFCD16877477
【English Synonyms】
【Formula】
C29 H29 N5 O3 S2
【MolWeight】
559.712
【Inchi】
InChI=1S/C29H29N5O3S2/c1-20-3-9-24(10-4-20)39(35,36)34-12-11-25-27(26-17-21(2)19-38-26)31-29(32-28(25)34)30-23-7-5-22(6-8-23)18-33-13-15-37-16-14-33/h3-12,17,19H,13-16,18H2,1-2H3,(H,30,31,32)
【InChIKey】
InChIKey=IAHFVELQOKZUPO-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)n2ccc3c2nc(nc3c4cc(cs4)C)Nc5ccc(cc5)CN6CCOCC6
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F