2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-6-propyl-pyrimidin-4-olate Formula: C21H18N3O2S2- MolecularWeight: 408.51652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)[O-]

InChI

InChI=1S/C21H19N3O2S2/c1-2-7-14-12-19(25)23-21(22-14)27-13-20(26)24-15-8-3-5-10-17(15)28-18-11-6-4-9-16(18)24/h3-6,8-12H,2,7,13H2,1H3,(H,22,23,25)/p-1