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Details

Stereochemistry ACHIRAL
Molecular Formula C29H34Cl2N8O4
Molecular Weight 629.537
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of H3B-6527

SMILES

CCN1CCN(CC1)C2=CC(NC(=O)C=C)=C(NC3=NC=NC(=C3)N(C)C(=O)NC4=C(Cl)C(OC)=CC(OC)=C4Cl)C=C2

InChI

InChIKey=MBWRLLRCTIYXDW-UHFFFAOYSA-N
InChI=1S/C29H34Cl2N8O4/c1-6-25(40)35-20-14-18(39-12-10-38(7-2)11-13-39)8-9-19(20)34-23-16-24(33-17-32-23)37(3)29(41)36-28-26(30)21(42-4)15-22(43-5)27(28)31/h6,8-9,14-17H,1,7,10-13H2,2-5H3,(H,35,40)(H,36,41)(H,32,33,34)

HIDE SMILES / InChI

Molecular Formula C29H34Cl2N8O4
Molecular Weight 629.537
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
4HTE364XIK
Record Status Validated (UNII)
Record Version