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D7X

Summary
Name:N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
Formula:C21 H19 N3 O4 S
Formal charge:0
Formula weight:409.458 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[3-(8-methyl-1-oxidanylidene-2~{H}-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H19N3O4S/c1-14-12-18(24-11-10-22-21(25)20(14)24)17-13-15(23-29(2,26)27)8-9-19(17)28-16-6-4-3-5-7-16/h3-13,23H,1-2H3,(H,22,25)
InChIKeyInChI1.03RZNRDMSSIKQWGN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cc(n2C=CNC(=O)c12)c3cc(N[S](C)(=O)=O)ccc3Oc4ccccc4
SMILESCACTVS3.385Cc1cc(n2C=CNC(=O)c12)c3cc(N[S](C)(=O)=O)ccc3Oc4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(n2c1C(=O)NC=C2)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C
SMILESOpenEye OEToolkits2.0.7Cc1cc(n2c1C(=O)NC=C2)c3cc(ccc3Oc4ccccc4)NS(=O)(=O)C

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PDB entries from 2024-07-17

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