2-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]guanidine; sulfuric acid

Systemtic Name: 2-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]guanidine; sulfuric acid Openeye Name: 2-[(4-oxo-3H-phthalazin-1-yl)methyl]guanidine; sulfuric acid CAS Name: 2-[(4-oxo-3H-phthalazin-1-yl)methyl]guanidine; sulfuric acid IUPAC Name: 2-[(4-oxo-3H-phthalazin-1-yl)methyl]guanidine; sulfuric acid Traditional Name: 2-[(4-keto-3H-phthalazin-1-yl)methyl]guanidine; sulfuric acid Formula: C20H24N10O6S MolecularWeight: 532.53296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)CN=C(N)N.C1=CC=C2C(=C1)C(=NNC2=O)CN=C(N)N.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)CN=C(N)N.C1=CC=C2C(=C1)C(=NNC2=O)CN=C(N)N.OS(=O)(=O)O

InChI

InChI=1S/2C10H11N5O.H2O4S/c2*11-10(12)13-5-8-6-3-1-2-4-7(6)9(16)15-14-8;1-5(2,3)4/h2*1-4H,5H2,(H,15,16)(H4,11,12,13);(H2,1,2,3,4)