2-[(3-azanyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(3-azanyl-4-oxidanylidene-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 2-(3-amino-4-oxo-benzothiopheno[3,2-d]pyrimidin-2-yl)sulfanylpropanoic acid CAS Name: 2-[(3-amino-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)thio]propanoic acid IUPAC Name: 2-[(3-amino-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(3-amino-4-keto-benzothiopheno[3,2-d]pyrimidin-2-yl)thio]propionic acid Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=C(C(=O)N1N)SC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)O)SC1=NC2=C(C(=O)N1N)SC3=CC=CC=C32

InChI

InChI=1S/C13H11N3O3S2/c1-6(12(18)19)20-13-15-9-7-4-2-3-5-8(7)21-10(9)11(17)16(13)14/h2-6H,14H2,1H3,(H,18,19)