N-[bis(azanyl)methylidene]-3-quinoxalin-5-yl-benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-quinoxalin-5-yl-benzamide; methanesulfonate Openeye Name: N-(diaminomethylene)-3-quinoxalin-5-yl-benzamide; methanesulfonate CAS Name: N-(diaminomethylidene)-3-(5-quinoxalinyl)benzamide; methanesulfonate IUPAC Name: N-(diaminomethylidene)-3-quinoxalin-5-ylbenzamide; methanesulfonate Traditional Name: N-(diaminomethylene)-3-quinoxalin-5-yl-benzamide mesylate Formula: C17H16N5O4S- MolecularWeight: 386.40504

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=C3C(=CC=C2)N=CC=N3

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=C3C(=CC=C2)N=CC=N3

InChI

InChI=1S/C16H13N5O.CH4O3S/c17-16(18)21-15(22)11-4-1-3-10(9-11)12-5-2-6-13-14(12)20-8-7-19-13;1-5(2,3)4/h1-9H,(H4,17,18,21,22);1H3,(H,2,3,4)/p-1