2-[3-(1-azanyl-1-oxidanylidene-propan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(1-azanyl-1-oxidanylidene-propan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(2-amino-1-methyl-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(1-amino-1-oxopropan-2-yl)-4-oxo-2-quinazolinyl]thio]acetic acid IUPAC Name: 2-[3-(1-amino-1-oxopropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetic acid Traditional Name: 2-[[3-(2-amino-2-keto-1-methyl-ethyl)-4-keto-quinazolin-2-yl]thio]acetic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

CC(C(=O)N)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

InChI

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