N-[bis(azanyl)methylidene]-7-(3-imidazol-1-ylpropoxy)-1,4-dimethyl-indole-2-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-7-(3-imidazol-1-ylpropoxy)-1,4-dimethyl-indole-2-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-7-(3-imidazol-1-ylpropoxy)-1,4-dimethyl-indole-2-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-7-[3-(1-imidazolyl)propoxy]-1,4-dimethyl-2-indolecarboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-7-(3-imidazol-1-ylpropoxy)-1,4-dimethylindole-2-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-7-(3-imidazol-1-ylpropoxy)-1,4-dimethyl-indole-2-carboxamide; mesylic acid Formula: C20H30N6O8S2 MolecularWeight: 546.6176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=C(C=C1)OCCCN3C=CN=C3)C)C(=O)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CC1=C2C=C(N(C2=C(C=C1)OCCCN3C=CN=C3)C)C(=O)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C18H22N6O2.2CH4O3S/c1-12-4-5-15(26-9-3-7-24-8-6-21-11-24)16-13(12)10-14(23(16)2)17(25)22-18(19)20;2*1-5(2,3)4/h4-6,8,10-11H,3,7,9H2,1-2H3,(H4,19,20,22,25);2*1H3,(H,2,3,4)