A1LW0

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

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

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2 entries where A1LW0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	0

2D diagram of A1LW0

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Chemical Component Summary
Name	2-methyl-1-nitro-3-[(tetrahydro-3-furanyl) methyl] guanidine
Synonyms	dinotefuran
Systematic Name (OpenEye OEToolkits)	1-methyl-2-nitro-3-[[(3~{S})-oxolan-3-yl]methyl]guanidine
Formula	C₇ H₁₄ N₄ O₃
Molecular Weight	202.211
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNC(NC[CH]1CCOC1)=N[N+]([O-])=O
SMILES	OpenEye OEToolkits	2.0.7	CNC(=N[N+](=O)[O-])NCC1CCOC1
Canonical SMILES	CACTVS	3.385	CN\C(NC[C@@H]1CCOC1)=N/[N+]([O-])=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN/C(=N\[N+](=O)[O-])/NC[C@@H]1CCOC1
InChI	InChI	1.06	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
InChIKey	InChI	1.06	YKBZOVFACRVRJN-LURJTMIESA-N

Related Resource References

Resource Name	Reference
PubChem	70183990, 136450592, 135565197, 136349480

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