1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea (Q27460941)

1-(4-{methyl[2-({4-[(Methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-Yl]amino}phenyl)-3-{3-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl} Urea (English)

19 October 2016

chemical formula

C₃₂H₃₆N₈O₄S

1 reference

1-(4-{methyl[2-({4-[(Methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-Yl]amino}phenyl)-3-{3-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl} Urea (English)

19 October 2016

canonical SMILES

CN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)N(C)C4=NC(=NC=C4)NC5=CC=C(C=C5)CS(=O)(=O)C

1 reference

1-(4-{methyl[2-({4-[(Methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-Yl]amino}phenyl)-3-{3-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl} Urea (English)

InChI=1S/C32H36N8O4S/c1-38-17-19-40(20-18-38)30(41)24-5-4-6-27(21-24)36-32(42)35-26-11-13-28(14-12-26)39(2)29-15-16-33-31(37-29)34-25-9-7-23(8-10-25)22-45(3,43)44/h4-16,21H,17-20,22H2,1-3H3,(H,33,34,37)(H2,35,36,42)

19 October 2016

Identifiers

InChI

1 reference

1-(4-{methyl[2-({4-[(Methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-Yl]amino}phenyl)-3-{3-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl} Urea (English)

HKWWFBIVSCKLOB-UHFFFAOYSA-N

19 October 2016

InChIKey

1 reference

1-(4-{methyl[2-({4-[(Methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-Yl]amino}phenyl)-3-{3-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl} Urea (English)

19 October 2016

1 reference

1-(4-{Methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)-4-pyrimidinyl]amino}phenyl)-3-{3-[(4-methyl-1-piperazinyl)carbonyl]phenyl}urea (English)

19 October 2016

2 references

1-(4-{methyl[2-({4-[(Methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-Yl]amino}phenyl)-3-{3-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl} Urea (English)

matched by identifier from

19 October 2016

InChIKey

HKWWFBIVSCKLOB-UHFFFAOYSA-N

1 reference

0 references

1 reference

4AOT (English)