3-azanyl-N-[bis(azanyl)methylidene]-6-chloranyl-5-[(3-fluorophenyl)methylamino]pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-N-[bis(azanyl)methylidene]-6-chloranyl-5-[(3-fluorophenyl)methylamino]pyrazine-2-carboxamide Openeye Name: 3-amino-6-chloro-N-(diaminomethylene)-5-[(3-fluorophenyl)methylamino]pyrazine-2-carboxamide CAS Name: 3-amino-6-chloro-N-(diaminomethylidene)-5-[(3-fluorophenyl)methylamino]-2-pyrazinecarboxamide IUPAC Name: 3-amino-6-chloro-N-(diaminomethylidene)-5-[(3-fluorophenyl)methylamino]pyrazine-2-carboxamide Traditional Name: 3-amino-6-chloro-N-(diaminomethylene)-5-[(3-fluorobenzyl)amino]pyrazinamide Formula: C13H13ClFN7O MolecularWeight: 337.740023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CNC2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N

Isomeric SMILES

C1=CC(=CC(=C1)F)CNC2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N

InChI

InChI=1S/C13H13ClFN7O/c14-9-11(19-5-6-2-1-3-7(15)4-6)21-10(16)8(20-9)12(23)22-13(17)18/h1-4H,5H2,(H3,16,19,21)(H4,17,18,22,23)