N5J

3H-pyrido[3,4-d]pyrimidin-4-one

Created:2015-11-30
Last modified:  2016-01-20

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Chemical Details

Formal Charge0
Atom Count16
Chiral Atom Count0
Bond Count17
Aromatic Bond Count6
2D diagram of N5J

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Chemical Component Summary

Name3H-pyrido[3,4-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)3H-pyrido[3,4-d]pyrimidin-4-one
FormulaC7 H5 N3 O
Molecular Weight147.134
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C1NC=Nc2cnccc12
SMILESOpenEye OEToolkits1.7.6c1cncc2c1C(=O)NC=N2
Canonical SMILESCACTVS3.385 O=C1NC=Nc2cnccc12
Canonical SMILESOpenEye OEToolkits1.7.6 c1cncc2c1C(=O)NC=N2
InChIInChI1.03 InChI=1S/C7H5N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h1-4H,(H,9,10,11)
InChIKeyInChI1.03 QMOPAFMMLWUTKI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3770256
PubChem 135567106, 590102
ChEMBL CHEMBL3770256