2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylpyrimidine-4,6-diolate

Systemtic Name: 2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanylpyrimidine-4,6-diolate Openeye Name: 2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanylpyrimidine-4,6-diolate CAS Name: 2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]pyrimidine-4,6-diolate IUPAC Name: 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylpyrimidine-4,6-diolate Traditional Name: 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]pyrimidine-4,6-diolate Formula: C18H11N3O3S2-2 MolecularWeight: 381.42824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NC(=CC(=N4)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NC(=CC(=N4)[O-])[O-]

InChI

InChI=1S/C18H13N3O3S2/c22-15-9-16(23)20-18(19-15)25-10-17(24)21-11-5-1-3-7-13(11)26-14-8-4-2-6-12(14)21/h1-9H,10H2,(H2,19,20,22,23)/p-2