8LP

6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione

Created:2017-02-15
Last modified:  2017-07-19

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Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count60
Aromatic Bond Count18
2D diagram of 8LP

Chemical Component Summary

Name6-benzyl-3-[3-(benzyloxy)phenyl]-4,6-dihydropyrido[4,3-d]pyrimidine-2,7(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)3-(3-phenylmethoxyphenyl)-6-(phenylmethyl)-1,4-dihydropyrido[4,3-d]pyrimidine-2,7-dione
FormulaC27 H23 N3 O3
Molecular Weight437.49
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N5C=2C(=CN(Cc1ccccc1)C(C=2)=O)CN(c3cccc(c3)OCc4ccccc4)C5=O
SMILESCACTVS3.385O=C1NC2=CC(=O)N(Cc3ccccc3)C=C2CN1c4cccc(OCc5ccccc5)c4
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5
Canonical SMILESCACTVS3.385 O=C1NC2=CC(=O)N(Cc3ccccc3)C=C2CN1c4cccc(OCc5ccccc5)c4
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(cc1)CN2C=C3CN(C(=O)NC3=CC2=O)c4cccc(c4)OCc5ccccc5
InChIInChI1.03 InChI=1S/C27H23N3O3/c31-26-15-25-22(17-29(26)16-20-8-3-1-4-9-20)18-30(27(32)28-25)23-12-7-13-24(14-23)33-19-21-10-5-2-6-11-21/h1-15,17H,16,18-19H2,(H,28,32)
InChIKeyInChI1.03 BHMKGMWMMMZMJN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4065018
PubChem 137348721
ChEMBL CHEMBL4065018