A1LW0

2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine

Created:2024-01-25
Last modified:  2024-12-18

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count1
Bond Count28
Aromatic Bond Count0
2D diagram of A1LW0

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Chemical Component Summary

Name2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine
Synonymsdinotefuran
Systematic Name (OpenEye OEToolkits)1-methyl-2-nitro-3-[[(3~{S})-oxolan-3-yl]methyl]guanidine
FormulaC7 H14 N4 O3
Molecular Weight202.211
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CNC(NC[CH]1CCOC1)=N[N+]([O-])=O
SMILESOpenEye OEToolkits2.0.7CNC(=N[N+](=O)[O-])NCC1CCOC1
Canonical SMILESCACTVS3.385 CN\C(NC[C@@H]1CCOC1)=N/[N+]([O-])=O
Canonical SMILESOpenEye OEToolkits2.0.7 CN/C(=N\[N+](=O)[O-])/NC[C@@H]1CCOC1
InChIInChI1.06 InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)/t6-/m0/s1
InChIKeyInChI1.06 YKBZOVFACRVRJN-LURJTMIESA-N

Related Resource References

Resource NameReference
PubChem 135565197, 136450592, 70183990, 136349480