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Summary
Name:8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one
Formula:C14 H12 N4 O S
Formal charge:0
Formula weight:284.336 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.018-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one
OpenEye OEToolkits1.7.68-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2N=C(Nc1c(cccc12)C)CSc3ncccn3
InChIInChI1.03InChI=1S/C14H12N4OS/c1-9-4-2-5-10-12(9)17-11(18-13(10)19)8-20-14-15-6-3-7-16-14/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyInChI1.03ANAUZAZPUGQDNM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370Cc1cccc2C(=O)N=C(CSc3ncccn3)Nc12
SMILESCACTVS3.370Cc1cccc2C(=O)N=C(CSc3ncccn3)Nc12
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cccc2c1NC(=NC2=O)CSc3ncccn3
SMILESOpenEye OEToolkits1.7.6Cc1cccc2c1NC(=NC2=O)CSc3ncccn3

217705

PDB entries from 2024-03-27

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