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MKC

Summary
Name:6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL
Formula:C17 H22 N2 O3
Formal charge:0
Formula weight:302.368 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.046-benzyl-1-(ethoxymethyl)-5-(1-methylethyl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits1.5.01-(ethoxymethyl)-6-(phenylmethyl)-5-propan-2-yl-pyrimidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C(=C(N(C(=O)N1)COCC)Cc2ccccc2)C(C)C
SMILES_CANONICALCACTVS3.341CCOCN1C(=O)NC(=O)C(=C1Cc2ccccc2)C(C)C
SMILESCACTVS3.341CCOCN1C(=O)NC(=O)C(=C1Cc2ccccc2)C(C)C
SMILES_CANONICALOpenEye OEToolkits1.5.0CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2
SMILESOpenEye OEToolkits1.5.0CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2ccccc2
InChIInChI1.03InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
InChIKeyInChI1.03MLILORUFDVLTSP-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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