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

Systemtic Name: 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-6-iodanyl-quinazolin-4-olate Openeye Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-6-iodo-quinazolin-4-olate CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-6-iodo-4-quinazolinolate IUPAC Name: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-iodoquinazolin-4-olate Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-6-iodo-quinazolin-4-olate Formula: C16H17IN3O2S- MolecularWeight: 442.29455

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=N2)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=N2)[O-]

InChI

InChI=1S/C16H18IN3O2S/c17-10-6-7-13-12(8-10)15(22)20-16(19-13)23-9-14(21)18-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,18,21)(H,19,20,22)/p-1