5V3

8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one

Created:2015-12-04
Last modified:  2015-12-29

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count36
Aromatic Bond Count12
2D diagram of 5V3

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Chemical Component Summary

Name8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one
Systematic Name (OpenEye OEToolkits)8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one
FormulaC15 H14 N4 O
Molecular Weight266.298
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C1N=CNc2c(CNCc3ccccc3)nccc12
SMILESOpenEye OEToolkits2.0.4c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3
Canonical SMILESCACTVS3.385 O=C1N=CNc2c(CNCc3ccccc3)nccc12
Canonical SMILESOpenEye OEToolkits2.0.4 c1ccc(cc1)CNCc2c3c(ccn2)C(=O)N=CN3
InChIInChI1.03 InChI=1S/C15H14N4O/c20-15-12-6-7-17-13(14(12)18-10-19-15)9-16-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H,18,19,20)
InChIKeyInChI1.03 YIEUEKVBIVGYSC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3775615
PubChem 102515542, 135567116
ChEMBL CHEMBL3775615