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K6O

Summary
Name:ethyl [(4-{[4-(azetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carbonyl]amino}-6-methylpyridin-2-yl)carbamothioyl]carbamate
Formula:C19 H23 N7 O4 S
Formal charge:0
Formula weight:445.495 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl [(4-{[4-(azetidine-1-carbonyl)-1-methyl-1H-pyrazole-5-carbonyl]amino}-6-methylpyridin-2-yl)carbamothioyl]carbamate
OpenEye OEToolkits2.0.7ethyl ~{N}-[[4-[[4-(azetidin-1-ylcarbonyl)-2-methyl-pyrazol-3-yl]carbonylamino]-6-methyl-pyridin-2-yl]carbamothioyl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1cnn(C)c1C(=O)Nc1cc(C)nc(NC(=S)NC(=O)OCC)c1)N1CCC1
InChIInChI1.03InChI=1S/C19H23N7O4S/c1-4-30-19(29)24-18(31)23-14-9-12(8-11(2)21-14)22-16(27)15-13(10-20-25(15)3)17(28)26-6-5-7-26/h8-10H,4-7H2,1-3H3,(H3,21,22,23,24,27,29,31)
InChIKeyInChI1.03UHLROZKZSVFHAY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)NC(=S)Nc1cc(NC(=O)c2n(C)ncc2C(=O)N3CCC3)cc(C)n1
SMILESCACTVS3.385CCOC(=O)NC(=S)Nc1cc(NC(=O)c2n(C)ncc2C(=O)N3CCC3)cc(C)n1
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOC(=O)NC(=S)Nc1cc(cc(n1)C)NC(=O)c2c(cnn2C)C(=O)N3CCC3
SMILESOpenEye OEToolkits2.0.7CCOC(=O)NC(=S)Nc1cc(cc(n1)C)NC(=O)c2c(cnn2C)C(=O)N3CCC3

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數據於2024-07-17公開中

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