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

Systemtic Name: 5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-2-hydroxy-benzoic acid CAS Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-2-hydroxybenzoic acid IUPAC Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methylamino]-2-hydroxybenzoic acid Traditional Name: 5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methylamino]-2-hydroxy-benzoic acid Formula: C12H9N3O5S MolecularWeight: 307.28196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O5S/c16-8-2-1-5(3-6(8)11(19)20)13-4-7-9(17)14-12(21)15-10(7)18/h1-4,13,16H,(H,19,20)(H2,14,15,17,18,21)