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0YN

Summary
Name:2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol
Formula:C13 H17 N3 O S
Formal charge:0
Formula weight:263.359 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethanol
OpenEye OEToolkits1.7.62-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-thiophen-2-yl]ethanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(c(cnc1C)Cc2c(c(sc2)CCO)C)N
InChIInChI1.03InChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)
InChIKeyInChI1.03HLBXMICRXICHJQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1ncc(Cc2csc(CCO)c2C)c(N)n1
SMILESCACTVS3.370Cc1ncc(Cc2csc(CCO)c2C)c(N)n1
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c(csc1CCO)Cc2cnc(nc2N)C
SMILESOpenEye OEToolkits1.7.6Cc1c(csc1CCO)Cc2cnc(nc2N)C

217705

PDB entries from 2024-03-27

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