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

Systemtic Name: 2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)methyl]guanidine; sulfuric acid Openeye Name: 2-[(3-methyl-4-oxo-phthalazin-1-yl)methyl]guanidine; sulfuric acid CAS Name: 2-[(3-methyl-4-oxo-1-phthalazinyl)methyl]guanidine; sulfuric acid IUPAC Name: 2-[(3-methyl-4-oxophthalazin-1-yl)methyl]guanidine; sulfuric acid Traditional Name: 2-[(4-keto-3-methyl-phthalazin-1-yl)methyl]guanidine; sulfuric acid Formula: C22H28N10O6S MolecularWeight: 560.58612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)CN=C(N)N.CN1C(=O)C2=CC=CC=C2C(=N1)CN=C(N)N.OS(=O)(=O)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)CN=C(N)N.CN1C(=O)C2=CC=CC=C2C(=N1)CN=C(N)N.OS(=O)(=O)O

InChI

InChI=1S/2C11H13N5O.H2O4S/c2*1-16-10(17)8-5-3-2-4-7(8)9(15-16)6-14-11(12)13;1-5(2,3)4/h2*2-5H,6H2,1H3,(H4,12,13,14);(H2,1,2,3,4)