bis(azanyl)methylidene-[4-(4-bromophenyl)quinazolin-2-yl]azanium chloride hydrate

Systemtic Name: bis(azanyl)methylidene-[4-(4-bromophenyl)quinazolin-2-yl]azanium chloride hydrate Openeye Name: [4-(4-bromophenyl)quinazolin-2-yl]-(diaminomethylene)ammonium chloride hydrate CAS Name: [4-(4-bromophenyl)-2-quinazolinyl]-(diaminomethylidene)ammonium chloride hydrate IUPAC Name: [4-(4-bromophenyl)quinazolin-2-yl]-(diaminomethylidene)azanium chloride hydrate Traditional Name: [4-(4-bromophenyl)quinazolin-2-yl]-(diaminomethylene)ammonium chloride hydrate Formula: C15H15BrClN5O MolecularWeight: 396.6695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)[NH+]=C(N)N)C3=CC=C(C=C3)Br.O.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)[NH+]=C(N)N)C3=CC=C(C=C3)Br.O.[Cl-]

InChI

InChI=1S/C15H12BrN5.ClH.H2O/c16-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)19-15(20-13)21-14(17)18;;/h1-8H,(H4,17,18,19,20,21);1H;1H2