N-[bis(azanyl)methylidene]-3-isoquinolin-5-yl-benzamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-3-isoquinolin-5-yl-benzamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-3-(5-isoquinolyl)benzamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-3-(5-isoquinolinyl)benzamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-3-isoquinolin-5-ylbenzamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-3-(5-isoquinolyl)benzamide; mesylic acid Formula: C19H22N4O7S2 MolecularWeight: 482.53058

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C17H14N4O.2CH4O3S/c18-17(19)21-16(22)12-4-1-3-11(9-12)14-6-2-5-13-10-20-8-7-15(13)14;2*1-5(2,3)4/h1-10H,(H4,18,19,21,22);2*1H3,(H,2,3,4)