5V7

8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one

Created:2015-12-07
Last modified:  2016-01-20

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Chemical Details

Formal Charge0
Atom Count24
Chiral Atom Count0
Bond Count26
Aromatic Bond Count11
2D diagram of 5V7

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Chemical Component Summary

Name8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one
FormulaC10 H7 N5 O S
Molecular Weight245.26
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Nc1scc(n1)c2nccc3C(=O)NC=Nc23
SMILESOpenEye OEToolkits2.0.4c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N
Canonical SMILESCACTVS3.385 Nc1scc(n1)c2nccc3C(=O)NC=Nc23
Canonical SMILESOpenEye OEToolkits2.0.4 c1cnc(c2c1C(=O)NC=N2)c3csc(n3)N
InChIInChI1.03 InChI=1S/C10H7N5OS/c11-10-15-6(3-17-10)8-7-5(1-2-12-8)9(16)14-4-13-7/h1-4H,(H2,11,15)(H,13,14,16)
InChIKeyInChI1.03 JEHSMTZNFSEDBY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3774798
PubChem 135567105, 112499934
ChEMBL CHEMBL3774798