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

Systemtic Name: N-[bis(azanyl)methylidene]-1,4-dimethyl-7-(pyridin-3-ylmethoxy)indole-2-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-1,4-dimethyl-7-(3-pyridylmethoxy)indole-2-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-1,4-dimethyl-7-(3-pyridinylmethoxy)-2-indolecarboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-1,4-dimethyl-7-(pyridin-3-ylmethoxy)indole-2-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-1,4-dimethyl-7-(3-pyridylmethoxy)indole-2-carboxamide; mesylic acid Formula: C20H27N5O8S2 MolecularWeight: 529.58708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=C(C=C1)OCC3=CN=CC=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)OCC3=CN=CC=C3)C)C(=O)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C18H19N5O2.2CH4O3S/c1-11-5-6-15(25-10-12-4-3-7-21-9-12)16-13(11)8-14(23(16)2)17(24)22-18(19)20;2*1-5(2,3)4/h3-9H,10H2,1-2H3,(H4,19,20,22,24);2*1H3,(H,2,3,4)