3-(2-chloranylphenothiazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid Openeye Name: 3-(2-chlorophenothiazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid CAS Name: 3-(2-chloro-10-phenothiazinyl)-1-(2-pyrimidinyl)-1-propanesulfonic acid IUPAC Name: 3-(2-chlorophenothiazin-10-yl)-1-pyrimidin-2-ylpropane-1-sulfonic acid Traditional Name: 3-(2-chlorophenothiazin-10-yl)-1-(2-pyrimidyl)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=C(S2)C=CC(=C3)Cl)CCC(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCC(C4=NC=CC=N4)S(=O)(=O)O

InChI

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