18Z

2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide


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Chemical Component Summary

Name2-{[(2-aminopyrimidin-5-yl)methyl]amino}-5-nitro-4-{[2-(piperazin-1-yl)ethyl]amino}benzamide
Identifiers2-[(2-azanylpyrimidin-5-yl)methylamino]-5-nitro-4-(2-piperazin-1-ylethylamino)benzamide
FormulaC18 H25 N9 O3
Molecular Weight415.45
TypeNON-POLYMER
Isomeric SMILESc1c(c(cc(c1[N+](=O)[O-])NCCN2CCNCC2)NCc3cnc(nc3)N)C(=O)N
InChIInChI=1S/C18H25N9O3/c19-17(28)13-7-16(27(29)30)15(22-3-6-26-4-1-21-2-5-26)8-14(13)23-9-12-10-24-18(20)25-11-12/h7-8,10-11,21-23H,1-6,9H2,(H2,19,28)(H2,20,24,25)
InChIKeyIDZSPROLKKFEMF-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count57
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 57519680