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

Systemtic Name: N-[bis(azanyl)methylidene]-1,4-dimethyl-7-morpholin-4-yl-indole-2-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-1,4-dimethyl-7-morpholino-indole-2-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-1,4-dimethyl-7-(4-morpholinyl)-2-indolecarboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-1,4-dimethyl-7-morpholin-4-ylindole-2-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-1,4-dimethyl-7-morpholino-indole-2-carboxamide; mesylic acid Formula: C17H25N5O5S MolecularWeight: 411.4759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(N(C2=C(C=C1)N3CCOCC3)C)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CC1=C2C=C(N(C2=C(C=C1)N3CCOCC3)C)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C16H21N5O2.CH4O3S/c1-10-3-4-12(21-5-7-23-8-6-21)14-11(10)9-13(20(14)2)15(22)19-16(17)18;1-5(2,3)4/h3-4,9H,5-8H2,1-2H3,(H4,17,18,19,22);1H3,(H,2,3,4)