NI5

2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one


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Chemical Component Summary

Name2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
Identifiers2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
FormulaC21 H28 N4 O4 S
Molecular Weight432.536
TypeNON-POLYMER
Isomeric SMILESCCCOc1ccc(cc1C2=NC3=C(CCC3)C(=O)N2)S(=O)(=O)N4CCN(CC4)C
InChIInChI=1S/C21H28N4O4S/c1-3-13-29-19-8-7-15(30(27,28)25-11-9-24(2)10-12-25)14-17(19)20-22-18-6-4-5-16(18)21(26)23-20/h7-8,14H,3-6,9-13H2,1-2H3,(H,22,23,26)
InChIKeyGVJMOYXLONOQAI-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count61
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 71455605, 135566746
ChEMBL CHEMBL2180955