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

Systemtic Name: N-[bis(azanyl)methylidene]-2,4-diethyl-3-oxidanylidene-1,4-benzoxazine-7-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-2,4-diethyl-3-oxo-1,4-benzoxazine-7-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-2,4-diethyl-3-keto-1,4-benzoxazine-7-carboxamide; mesylic acid Formula: C16H26N4O9S2 MolecularWeight: 482.52904

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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)CC.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)CC.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C14H18N4O3.2CH4O3S/c1-3-10-13(20)18(4-2)9-6-5-8(7-11(9)21-10)12(19)17-14(15)16;2*1-5(2,3)4/h5-7,10H,3-4H2,1-2H3,(H4,15,16,17,19);2*1H3,(H,2,3,4)