1,3-bis(3-carbamimidoyl-5-chloranyl-phenyl)urea dihydrochloride

Systemtic Name: 1,3-bis(3-carbamimidoyl-5-chloranyl-phenyl)urea dihydrochloride Openeye Name: 1,3-bis(3-carbamimidoyl-5-chloro-phenyl)urea dihydrochloride CAS Name: 1,3-bis(3-carbamimidoyl-5-chlorophenyl)urea dihydrochloride IUPAC Name: 1,3-bis(3-carbamimidoyl-5-chlorophenyl)urea dihydrochloride Traditional Name: 1,3-bis(3-amidino-5-chloro-phenyl)urea dihydrochloride Formula: C15H16Cl4N6O MolecularWeight: 438.13914

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1NC(=O)NC2=CC(=CC(=C2)C(=N)N)Cl)Cl)C(=N)N.Cl.Cl

Isomeric SMILES

C1=C(C=C(C=C1NC(=O)NC2=CC(=CC(=C2)C(=N)N)Cl)Cl)C(=N)N.Cl.Cl

InChI

InChI=1S/C15H14Cl2N6O.2ClH/c16-9-1-7(13(18)19)3-11(5-9)22-15(24)23-12-4-8(14(20)21)2-10(17)6-12;;/h1-6H,(H3,18,19)(H3,20,21)(H2,22,23,24);2*1H