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

Systemtic Name: 5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-2-chloranyl-benzoic acid Openeye Name: 2-chloro-5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid CAS Name: 2-chloro-5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid IUPAC Name: 2-chloro-5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]benzoic acid Traditional Name: 2-chloro-5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]benzoic acid Formula: C12H8ClN3O4S MolecularWeight: 325.72762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC=C2C(=O)NC(=S)NC2=O)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC=C2C(=O)NC(=S)NC2=O)C(=O)O)Cl

InChI

InChI=1S/C12H8ClN3O4S/c13-8-2-1-5(3-6(8)11(19)20)14-4-7-9(17)15-12(21)16-10(7)18/h1-4,14H,(H,19,20)(H2,15,16,17,18,21)