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

Systemtic Name: 2-[[4-oxidanylidene-3-(2-pyridin-2-ylethyl)phthalazin-1-yl]methyl]guanidine; sulfuric acid Openeye Name: 2-[[4-oxo-3-[2-(2-pyridyl)ethyl]phthalazin-1-yl]methyl]guanidine; sulfuric acid CAS Name: 2-[[4-oxo-3-[2-(2-pyridinyl)ethyl]-1-phthalazinyl]methyl]guanidine; sulfuric acid IUPAC Name: 2-[[4-oxo-3-(2-pyridin-2-ylethyl)phthalazin-1-yl]methyl]guanidine; sulfuric acid Traditional Name: 2-[[4-keto-3-[2-(2-pyridyl)ethyl]phthalazin-1-yl]methyl]guanidine; sulfuric acid Formula: C34H38N12O6S MolecularWeight: 742.80732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CN=C(N)N.C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CN=C(N)N.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CN=C(N)N.C1=CC=C2C(=C1)C(=NN(C2=O)CCC3=CC=CC=N3)CN=C(N)N.OS(=O)(=O)O

InChI

InChI=1S/2C17H18N6O.H2O4S/c2*18-17(19)21-11-15-13-6-1-2-7-14(13)16(24)23(22-15)10-8-12-5-3-4-9-20-12;1-5(2,3)4/h2*1-7,9H,8,10-11H2,(H4,18,19,21);(H2,1,2,3,4)