6-iodanyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-quinazolin-4-olate

Systemtic Name: 6-iodanyl-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-quinazolin-4-olate Openeye Name: 2-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-6-iodo-quinazolin-4-olate CAS Name: 6-iodo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-4-quinazolinolate IUPAC Name: 2-[2-(benzylamino)-2-oxoethyl]sulfanyl-6-iodoquinazolin-4-olate Traditional Name: 2-[[2-(benzylamino)-2-keto-ethyl]thio]-6-iodo-quinazolin-4-olate Formula: C17H13IN3O2S- MolecularWeight: 450.27349

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=N2)[O-]

InChI

InChI=1S/C17H14IN3O2S/c18-12-6-7-14-13(8-12)16(23)21-17(20-14)24-10-15(22)19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,22)(H,20,21,23)/p-1