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A1DYV

Summary
Name:N-{[3-(methanesulfonyl)phenyl]methyl}-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
Formula:C15 H14 N4 O3 S
Formal charge:0
Formula weight:330.362 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52N-{[3-(methanesulfonyl)phenyl]methyl}-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
OpenEye OEToolkits3.1.0.0~{N}-[(3-methylsulfonylphenyl)methyl]-7~{H}-pyrrolo[2,3-d]pyrimidine-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CS(=O)(=O)c1cccc(c1)CNC(=O)c1ncnc2[NH]ccc12
InChIInChI1.06InChI=1S/C15H14N4O3S/c1-23(21,22)11-4-2-3-10(7-11)8-17-15(20)13-12-5-6-16-14(12)19-9-18-13/h2-7,9H,8H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyInChI1.06GGVPKMBYYQOWJM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)c1cccc(CNC(=O)c2ncnc3[nH]ccc23)c1
SMILESCACTVS3.385C[S](=O)(=O)c1cccc(CNC(=O)c2ncnc3[nH]ccc23)c1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0CS(=O)(=O)c1cccc(c1)CNC(=O)c2c3cc[nH]c3ncn2
SMILESOpenEye OEToolkits3.1.0.0CS(=O)(=O)c1cccc(c1)CNC(=O)c2c3cc[nH]c3ncn2

262513

PDB entries from 2026-11-04

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