J7I

2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine



Chemical Component Summary

Name2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine
Identifiers2-[2-[[5-[3-methoxy-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-methyl-phenyl]-propyl-amino]-1,3-thiazol-4-yl]pyrimidine-4,6-diamine
FormulaC29 H36 N8 O3 S2
Molecular Weight608.778
TypeNON-POLYMER
Isomeric SMILESCCCN(c1cc(ccc1C)c2ccc(c(c2)OC)S(=O)(=O)N3CCN(CC3)C)c4nc(cs4)c5nc(cc(n5)N)N
InChIInChI=1S/C29H36N8O3S2/c1-5-10-37(29-32-22(18-41-29)28-33-26(30)17-27(31)34-28)23-15-20(7-6-19(23)2)21-8-9-25(24(16-21)40-4)42(38,39)36-13-11-35(3)12-14-36/h6-9,15-18H,5,10-14H2,1-4H3,(H4,30,31,33,34)
InChIKeyVYVDDCIZEXCGHT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count78
Chiral Atom Count0
Bond Count82
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 168268163