2-(3-azaniumylpropylsulfanyl)quinazolin-4-olate

Systemtic Name: 2-(3-azaniumylpropylsulfanyl)quinazolin-4-olate Openeye Name: 2-(3-azaniumylpropylsulfanyl)quinazolin-4-olate CAS Name: 2-(3-ammoniopropylthio)-4-quinazolinolate IUPAC Name: 2-(3-azaniumylpropylsulfanyl)quinazolin-4-olate Traditional Name: 2-(3-ammoniopropylthio)quinazolin-4-olate Formula: C11H13N3OS MolecularWeight: 235.30542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)SCCC[NH3+])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)SCCC[NH3+])[O-]

InChI

InChI=1S/C11H13N3OS/c12-6-3-7-16-11-13-9-5-2-1-4-8(9)10(15)14-11/h1-2,4-5H,3,6-7,12H2,(H,13,14,15)