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6H8

Summary
Name:N-[2-(methylamino)-1H-benzimidazol-6-yl]guanidine
Formula:C9 H12 N6
Formal charge:0
Formula weight:204.232 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[2-(methylamino)-1H-benzimidazol-6-yl]guanidine
OpenEye OEToolkits2.0.41-[2-(methylamino)-3~{H}-benzimidazol-5-yl]guanidine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c12c(ccc(NC(=N)\N)c1)nc(n2)NC
InChIInChI1.03InChI=1S/C9H12N6/c1-12-9-14-6-3-2-5(13-8(10)11)4-7(6)15-9/h2-4H,1H3,(H4,10,11,13)(H2,12,14,15)
InChIKeyInChI1.03VXGAAYFONQATFF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CNc1[nH]c2cc(NC(N)=N)ccc2n1
SMILESCACTVS3.385CNc1[nH]c2cc(NC(N)=N)ccc2n1
SMILES_CANONICALOpenEye OEToolkits2.0.4[H]/N=C(/N)\Nc1ccc2c(c1)[nH]c(n2)NC
SMILESOpenEye OEToolkits2.0.4CNc1[nH]c2cc(ccc2n1)NC(=N)N

221051

PDB entries from 2024-06-12

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