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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)O)CCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)O)CCC(=O)N

InChI

InChI=1S/C13H13N3O4S/c14-10(17)5-6-16-12(20)8-3-1-2-4-9(8)15-13(16)21-7-11(18)19/h1-4H,5-7H2,(H2,14,17)(H,18,19)