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612

Summary
Name:6-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
Synonyms:TNK-6123
Formula:C16 H26 N2 O3 S
Formal charge:0
Formula weight:326.454 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-(cyclohexylsulfanyl)-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits1.5.06-cyclohexylsulfanyl-1-(ethoxymethyl)-5-propan-2-yl-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2C(=C(SC1CCCCC1)N(C(=O)N2)COCC)C(C)C
SMILES_CANONICALCACTVS3.341CCOCN1C(=O)NC(=O)C(=C1SC2CCCCC2)C(C)C
SMILESCACTVS3.341CCOCN1C(=O)NC(=O)C(=C1SC2CCCCC2)C(C)C
SMILES_CANONICALOpenEye OEToolkits1.5.0CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2
SMILESOpenEye OEToolkits1.5.0CCOCN1C(=C(C(=O)NC1=O)C(C)C)SC2CCCCC2
InChIInChI1.03InChI=1S/C16H26N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h11-12H,4-10H2,1-3H3,(H,17,19,20)
InChIKeyInChI1.03JKXLRLDPSLZEDD-UHFFFAOYSA-N

219140

PDB entries from 2024-05-01

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