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Details

Stereochemistry ABSOLUTE
Molecular Formula C32H31ClN6O3
Molecular Weight 583.08
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PYROTINIB

SMILES

CCOC1=CC2=C(C=C1NC(=O)\C=C\[C@H]3CCCN3C)C(NC4=CC(Cl)=C(OCC5=CC=CC=N5)C=C4)=C(C=N2)C#N

InChI

InChIKey=SADXACCFNXBCFY-IYNHSRRRSA-N
InChI=1S/C32H31ClN6O3/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40)/b12-10+/t24-/m1/s1

HIDE SMILES / InChI

Approval Year