1-azanyl-1-(3,4-dimethoxy-5-oxidanyl-phenyl)carbonyl-guanidine sulfate

Systemtic Name: 1-azanyl-1-(3,4-dimethoxy-5-oxidanyl-phenyl)carbonyl-guanidine sulfate Openeye Name: 1-amino-1-(3-hydroxy-4,5-dimethoxy-benzoyl)guanidine sulfate CAS Name: 1-amino-1-[(3-hydroxy-4,5-dimethoxyphenyl)-oxomethyl]guanidine sulfate IUPAC Name: 1-amino-1-(3-hydroxy-4,5-dimethoxybenzoyl)guanidine sulfate Traditional Name: 1-amino-1-(3-hydroxy-4,5-dimethoxy-benzoyl)guanidine sulfate Formula: C20H28N8O12S-2 MolecularWeight: 604.54772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)O)C(=O)N(C(=N)N)N.COC1=CC(=CC(=C1OC)O)C(=O)N(C(=N)N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)O)C(=O)N(C(=N)N)N.COC1=CC(=CC(=C1OC)O)C(=O)N(C(=N)N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H14N4O4.H2O4S/c2*1-17-7-4-5(3-6(15)8(7)18-2)9(16)14(13)10(11)12;1-5(2,3)4/h2*3-4,15H,13H2,1-2H3,(H3,11,12);(H2,1,2,3,4)/p-2