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7RF

Summary
Name:(6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate
Formula:C19 H17 N5 O2
Formal charge:0
Formula weight:347.371 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(6-carbamimidoylnaphthalen-2-yl) 4-carbamimidamidobenzoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
InChIKeyInChI1.03MQQNFDZXWVTQEH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N
SMILESCACTVS3.385NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N
SMILES_CANONICALOpenEye OEToolkits2.0.7[H]/N=C(\c1ccc2cc(ccc2c1)OC(=O)c3ccc(cc3)N/C(=N/[H])/N)/N
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1C(=O)Oc2ccc3cc(ccc3c2)C(=N)N)NC(=N)N

219869

PDB entries from 2024-05-15

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