1,3-bis(3-carbamimidoylphenyl)urea; 2-oxidanylethanesulfonic acid

Systemtic Name: 1,3-bis(3-carbamimidoylphenyl)urea; 2-oxidanylethanesulfonic acid Openeye Name: 1,3-bis(3-carbamimidoylphenyl)urea; 2-hydroxyethanesulfonic acid CAS Name: 1,3-bis(3-carbamimidoylphenyl)urea; 2-hydroxyethanesulfonic acid IUPAC Name: 1,3-bis(3-carbamimidoylphenyl)urea; 2-hydroxyethanesulfonic acid Traditional Name: 1,3-bis(3-amidinophenyl)urea; 2-hydroxyethanesulfonic acid Formula: C17H22N6O5S MolecularWeight: 422.45878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=N)N)C(=N)N.C(CS(=O)(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(=N)N)C(=N)N.C(CS(=O)(=O)O)O

InChI

InChI=1S/C15H16N6O.C2H6O4S/c16-13(17)9-3-1-5-11(7-9)20-15(22)21-12-6-2-4-10(8-12)14(18)19;3-1-2-7(4,5)6/h1-8H,(H3,16,17)(H3,18,19)(H2,20,21,22);3H,1-2H2,(H,4,5,6)