3-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate

Systemtic Name: 3-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]benzoate Openeye Name: 3-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate CAS Name: 3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate IUPAC Name: 3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoate Traditional Name: 3-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoate Formula: C12H8N3O4S- MolecularWeight: 290.27462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC=C2C(=O)NC(=S)NC2=O)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC=C2C(=O)NC(=S)NC2=O)C(=O)[O-]

InChI

InChI=1S/C12H9N3O4S/c16-9-8(10(17)15-12(20)14-9)5-13-7-3-1-2-6(4-7)11(18)19/h1-5,13H,(H,18,19)(H2,14,15,16,17,20)/p-1