DRL

2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one

Created: 2008-01-31
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count0
2D diagram of DRL
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Chemical Component Summary

Name2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)2-methyl-3,5,7,8-tetrahydrothiopyrano[3,4-e]pyrimidin-4-one
FormulaC8 H10 N2 O S
Molecular Weight182.243
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1C2=C(N=C(N1)C)CCSC2
SMILESCACTVS3.341CC1=NC2=C(CSCC2)C(=O)N1
SMILESOpenEye OEToolkits1.5.0CC1=NC2=C(CSCC2)C(=O)N1
Canonical SMILESCACTVS3.341 CC1=NC2=C(CSCC2)C(=O)N1
Canonical SMILESOpenEye OEToolkits1.5.0 CC1=NC2=C(CSCC2)C(=O)N1
InChIInChI1.03 InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
InChIKeyInChI1.03 HRYKZAKEAVZGJD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB07677 
Name2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one
Groups experimental
Synonyms2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]pyrimidin-4-one

Drug Targets

NameTarget SequencePharmacological ActionActions
Poly [ADP-ribose] polymerase 3MAPKPKPWVQTEGPEKKKGRQAGREEDPFRSTAEALKAIPAEKRIIRVDP...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL483348
PubChem 10219702, 135522417
ChEMBL CHEMBL483348