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SP6

Summary
Name:BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO-5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE-2-CARBOXYLATE
Formula:C21 H16 N2 O4 S
Formal charge:0
Formula weight:392.428 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04benzyl 6-benzyl-5,7-dioxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxylate
OpenEye OEToolkits1.5.0phenylmethyl 5,7-dioxo-6-(phenylmethyl)-[1,3]thiazolo[2,3-f]pyrimidine-2-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCc1ccccc1)C=2SC3=CC(=O)N(C(=O)N3C=2)Cc4ccccc4
SMILES_CANONICALCACTVS3.341O=C(OCc1ccccc1)C2=CN3C(=O)N(Cc4ccccc4)C(=O)C=C3S2
SMILESCACTVS3.341O=C(OCc1ccccc1)C2=CN3C(=O)N(Cc4ccccc4)C(=O)C=C3S2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)CN2C(=O)C=C3N(C2=O)C=C(S3)C(=O)OCc4ccccc4
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CN2C(=O)C=C3N(C2=O)C=C(S3)C(=O)OCc4ccccc4
InChIInChI1.03InChI=1S/C21H16N2O4S/c24-18-11-19-23(21(26)22(18)12-15-7-3-1-4-8-15)13-17(28-19)20(25)27-14-16-9-5-2-6-10-16/h1-11,13H,12,14H2
InChIKeyInChI1.03PLBINCOCFGQAJM-UHFFFAOYSA-N

224004

数据于2024-08-21公开中

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