4-(phenylcarbonylcarbamothioylamino)pyrimidin-2-olate

Systemtic Name: 4-(phenylcarbonylcarbamothioylamino)pyrimidin-2-olate Openeye Name: 4-(benzoylcarbamothioylamino)pyrimidin-2-olate CAS Name: 4-[[benzamido(sulfanylidene)methyl]amino]-2-pyrimidinolate IUPAC Name: 4-(benzoylcarbamothioylamino)pyrimidin-2-olate Traditional Name: 4-(benzoylthiocarbamoylamino)pyrimidin-2-olate Formula: C12H9N4O2S- MolecularWeight: 273.29046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=NC=C2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=NC=C2)[O-]

InChI

InChI=1S/C12H10N4O2S/c17-10(8-4-2-1-3-5-8)16-12(19)15-9-6-7-13-11(18)14-9/h1-7H,(H3,13,14,15,16,17,18,19)/p-1