2-[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]thio]acetate IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]thio]acetate Formula: C12H10N3O4S- MolecularWeight: 292.2905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4S/c13-9(16)5-15-11(19)7-3-1-2-4-8(7)14-12(15)20-6-10(17)18/h1-4H,5-6H2,(H2,13,16)(H,17,18)/p-1