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WXO

Summary
Name:6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Formula:C13 H16 N4 O4 S
Formal charge:0
Formula weight:324.356 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits2.0.76-(azepan-1-ylsulfonyl)-1~{H}-pyrido[2,3-d]pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1cc2C(=O)NC(=O)Nc2nc1)N1CCCCCC1
InChIInChI1.06InChI=1S/C13H16N4O4S/c18-12-10-7-9(8-14-11(10)15-13(19)16-12)22(20,21)17-5-3-1-2-4-6-17/h7-8H,1-6H2,(H2,14,15,16,18,19)
InChIKeyInChI1.06LLNQFWFHQRNMTN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1NC(=O)c2cc(cnc2N1)[S](=O)(=O)N3CCCCCC3
SMILESCACTVS3.385O=C1NC(=O)c2cc(cnc2N1)[S](=O)(=O)N3CCCCCC3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1c(cnc2c1C(=O)NC(=O)N2)S(=O)(=O)N3CCCCCC3
SMILESOpenEye OEToolkits2.0.7c1c(cnc2c1C(=O)NC(=O)N2)S(=O)(=O)N3CCCCCC3

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PDB entries from 2024-07-10

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