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14X

Summary
Name:3-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
Formula:C13 H17 N3 O3 S
Formal charge:0
Formula weight:295.357 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-methyl-6-(pyrrolidin-1-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
OpenEye OEToolkits1.7.63-methyl-6-pyrrolidin-1-ylsulfonyl-1,4-dihydroquinazolin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c2cc1c(NC(=O)N(C)C1)cc2)N3CCCC3
InChIInChI1.03InChI=1S/C13H17N3O3S/c1-15-9-10-8-11(4-5-12(10)14-13(15)17)20(18,19)16-6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,14,17)
InChIKeyInChI1.03JPBCSPCBFLTTPI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CN1Cc2cc(ccc2NC1=O)[S](=O)(=O)N3CCCC3
SMILESCACTVS3.370CN1Cc2cc(ccc2NC1=O)[S](=O)(=O)N3CCCC3
SMILES_CANONICALOpenEye OEToolkits1.7.6CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3
SMILESOpenEye OEToolkits1.7.6CN1Cc2cc(ccc2NC1=O)S(=O)(=O)N3CCCC3

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數據於2024-07-10公開中

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