2-[3-[2-(methylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-[2-(methylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-[2-(methylamino)-2-oxo-ethyl]-4-oxo-quinazolin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-[2-(methylamino)-2-oxoethyl]-4-oxo-2-quinazolinyl]thio]acetic acid IUPAC Name: 2-[3-[2-(methylamino)-2-oxoethyl]-4-oxoquinazolin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-keto-3-[2-keto-2-(methylamino)ethyl]quinazolin-2-yl]thio]acetic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CNC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C13H13N3O4S/c1-14-10(17)6-16-12(20)8-4-2-3-5-9(8)15-13(16)21-7-11(18)19/h2-5H,6-7H2,1H3,(H,14,17)(H,18,19)