6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoate CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoate Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoate Formula: C14H15N2O3S- MolecularWeight: 291.3455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=S)N2)CCCCCC(=O)[O-]

InChI

InChI=1S/C14H16N2O3S/c17-12(18)8-2-1-5-9-16-13(19)10-6-3-4-7-11(10)15-14(16)20/h3-4,6-7H,1-2,5,8-9H2,(H,15,20)(H,17,18)/p-1