3-[(3-methylsulfanylphenyl)carbamoyl]-[1,2]thiazolo[4,3-d]pyrimidin-7-olate

Systemtic Name: 3-[(3-methylsulfanylphenyl)carbamoyl]-[1,2]thiazolo[4,3-d]pyrimidin-7-olate Openeye Name: 3-[(3-methylsulfanylphenyl)carbamoyl]isothiazolo[4,3-d]pyrimidin-7-olate CAS Name: 3-[[3-(methylthio)anilino]-oxomethyl]-7-isothiazolo[4,3-d]pyrimidinolate IUPAC Name: 3-[(3-methylsulfanylphenyl)carbamoyl]-[1,2]thiazolo[4,3-d]pyrimidin-7-olate Traditional Name: 3-[[3-(methylthio)phenyl]carbamoyl]isothiazolo[4,3-d]pyrimidin-7-olate Formula: C13H9N4O2S2- MolecularWeight: 317.36616

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=C3C(=NS2)C(=NC=N3)[O-]

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=C3C(=NS2)C(=NC=N3)[O-]

InChI

InChI=1S/C13H10N4O2S2/c1-20-8-4-2-3-7(5-8)16-13(19)11-9-10(17-21-11)12(18)15-6-14-9/h2-6H,1H3,(H,16,19)(H,14,15,18)/p-1