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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=C2)C3=C(C=CC(=C3)C(=N)N)Cl)C(=N)N.Cl.Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=C2)C3=C(C=CC(=C3)C(=N)N)Cl)C(=N)N.Cl.Cl

InChI

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