0RU

8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one

Created:2012-05-07
Last modified:  2012-08-31

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count34
Aromatic Bond Count12
2D diagram of 0RU

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Chemical Component Summary

Name8-methyl-2-[(pyrimidin-2-ylsulfanyl)methyl]quinazolin-4(1H)-one
Systematic Name (OpenEye OEToolkits)8-methyl-2-(pyrimidin-2-ylsulfanylmethyl)-1H-quinazolin-4-one
FormulaC14 H12 N4 O S
Molecular Weight284.336
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2N=C(Nc1c(cccc12)C)CSc3ncccn3
SMILESCACTVS3.370Cc1cccc2C(=O)N=C(CSc3ncccn3)Nc12
SMILESOpenEye OEToolkits1.7.6Cc1cccc2c1NC(=NC2=O)CSc3ncccn3
Canonical SMILESCACTVS3.370 Cc1cccc2C(=O)N=C(CSc3ncccn3)Nc12
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1cccc2c1NC(=NC2=O)CSc3ncccn3
InChIInChI1.03 InChI=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)
InChIKeyInChI1.03 ANAUZAZPUGQDNM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 9202458, 135566723