N-[bis(azanyl)methylidene]-2-ethyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazine-7-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-2-ethyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazine-7-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-2-ethyl-4-isopropyl-3-oxo-1,4-benzoxazine-7-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazine-7-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-2-ethyl-4-isopropyl-3-keto-1,4-benzoxazine-7-carboxamide; mesylic acid Formula: C17H28N4O9S2 MolecularWeight: 496.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)N=C(N)N)C(C)C.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CCC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)N=C(N)N)C(C)C.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C15H20N4O3.2CH4O3S/c1-4-11-14(21)19(8(2)3)10-6-5-9(7-12(10)22-11)13(20)18-15(16)17;2*1-5(2,3)4/h5-8,11H,4H2,1-3H3,(H4,16,17,18,20);2*1H3,(H,2,3,4)