1-(4-chloranylpyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid

Systemtic Name: 1-(4-chloranylpyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(4-chloropyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(4-chloro-2-pyrimidinyl)-3-(10-phenothiazinyl)-1-propanesulfonic acid IUPAC Name: 1-(4-chloropyrimidin-2-yl)-3-phenothiazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(4-chloropyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Formula: C19H16ClN3O3S2 MolecularWeight: 433.93164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(C4=NC=CC(=N4)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(C4=NC=CC(=N4)Cl)S(=O)(=O)O

InChI

InChI=1S/C19H16ClN3O3S2/c20-18-9-11-21-19(22-18)17(28(24,25)26)10-12-23-13-5-1-3-7-15(13)27-16-8-4-2-6-14(16)23/h1-9,11,17H,10,12H2,(H,24,25,26)