4-[5-(3-carbamimidoylphenyl)-1,2-oxazol-3-yl]-3-chloranyl-benzenecarboximidamide dihydrochloride

Systemtic Name: 4-[5-(3-carbamimidoylphenyl)-1,2-oxazol-3-yl]-3-chloranyl-benzenecarboximidamide dihydrochloride Openeye Name: 4-[5-(3-carbamimidoylphenyl)isoxazol-3-yl]-3-chloro-benzamidine dihydrochloride CAS Name: 4-[5-(3-carbamimidoylphenyl)-3-isoxazolyl]-3-chlorobenzenecarboximidamide dihydrochloride IUPAC Name: 4-[5-(3-carbamimidoylphenyl)-1,2-oxazol-3-yl]-3-chlorobenzenecarboximidamide dihydrochloride Traditional Name: 4-[5-(3-amidinophenyl)isoxazol-3-yl]-3-chloro-benzamidine dihydrochloride Formula: C17H16Cl3N5O MolecularWeight: 412.70084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=N)N)C2=CC(=NO2)C3=C(C=C(C=C3)C(=N)N)Cl.Cl.Cl

Isomeric SMILES

C1=CC(=CC(=C1)C(=N)N)C2=CC(=NO2)C3=C(C=C(C=C3)C(=N)N)Cl.Cl.Cl

InChI

InChI=1S/C17H14ClN5O.2ClH/c18-13-7-11(17(21)22)4-5-12(13)14-8-15(24-23-14)9-2-1-3-10(6-9)16(19)20;;/h1-8H,(H3,19,20)(H3,21,22);2*1H