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TNK

Summary
Name:6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL
Formula:C22 H24 N2 O3
Formal charge:0
Formula weight:364.438 Da
Component type:NON-POLYMER

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C(=C(N(C(=O)N1)COCc2ccccc2)Cc3ccccc3)C(C)C
SMILES_CANONICALCACTVS3.341CC(C)C1=C(Cc2ccccc2)N(COCc3ccccc3)C(=O)NC1=O
SMILESCACTVS3.341CC(C)C1=C(Cc2ccccc2)N(COCc3ccccc3)C(=O)NC1=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3
SMILESOpenEye OEToolkits1.5.0CC(C)C1=C(N(C(=O)NC1=O)COCc2ccccc2)Cc3ccccc3
InChIInChI1.03InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)
InChIKeyInChI1.03KSAAUHMSLCPIEX-UHFFFAOYSA-N

222415

건을2024-07-10부터공개중

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