4-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 4-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 4-(4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl)benzoic acid CAS Name: 4-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)benzoic acid IUPAC Name: 4-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)benzoic acid Traditional Name: 4-(4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl)benzoic acid Formula: C11H8N2O4S MolecularWeight: 264.25722

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C11H8N2O4S/c14-8-5-9(15)13(11(18)12-8)7-3-1-6(2-4-7)10(16)17/h1-4H,5H2,(H,16,17)(H,12,14,18)