J2H

8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

Created: 2019-01-14
Last modified:  2020-02-05

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Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count0
Bond Count71
Aromatic Bond Count24
2D diagram of J2H
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Chemical Component Summary

Name8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
Systematic Name (OpenEye OEToolkits)8-[(3-methylpyridin-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
FormulaC30 H28 N6 O2
Molecular Weight504.582
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(c4ccc(cc4)c5ccccc5)C3=O)c6ncccn6
SMILESOpenEye OEToolkits2.0.6Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6ccccc6
Canonical SMILESCACTVS3.385 Cc1cccnc1CN2CCC3(CC2)N(C(=O)N(c4ccc(cc4)c5ccccc5)C3=O)c6ncccn6
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1cccnc1CN2CCC3(CC2)C(=O)N(C(=O)N3c4ncccn4)c5ccc(cc5)c6ccccc6
InChIInChI1.03 InChI=1S/C30H28N6O2/c1-22-7-5-16-31-26(22)21-34-19-14-30(15-20-34)27(37)35(29(38)36(30)28-32-17-6-18-33-28)25-12-10-24(11-13-25)23-8-3-2-4-9-23/h2-13,16-18H,14-15,19-21H2,1H3
InChIKeyInChI1.03 FIMHRJKSKVXMEB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2043005
PubChem 57386523
ChEMBL CHEMBL2043005