N1,N4-bis[bis(azanyl)methylidene]-2-pyrrol-1-yl-benzene-1,4-dicarboxamide; methanesulfonic acid

Systemtic Name: N1,N4-bis[bis(azanyl)methylidene]-2-pyrrol-1-yl-benzene-1,4-dicarboxamide; methanesulfonic acid Openeye Name: N1,N4-bis(diaminomethylene)-2-pyrrol-1-yl-terephthalamide; methanesulfonic acid CAS Name: N1,N4-bis(diaminomethylidene)-2-(1-pyrrolyl)benzene-1,4-dicarboxamide; methanesulfonic acid IUPAC Name: 1-N,4-N-bis(diaminomethylidene)-2-pyrrol-1-ylbenzene-1,4-dicarboxamide; methanesulfonic acid Traditional Name: N,N'-bis(diaminomethylene)-2-pyrrol-1-yl-terephthalamide; mesylic acid Formula: C16H23N7O8S2 MolecularWeight: 505.52592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N7O2.2CH4O3S/c15-13(16)19-11(22)8-3-4-9(12(23)20-14(17)18)10(7-8)21-5-1-2-6-21;2*1-5(2,3)4/h1-7H,(H4,15,16,19,22)(H4,17,18,20,23);2*1H3,(H,2,3,4)