1-(3-bromanyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid

Systemtic Name: 1-(3-bromanyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(3-bromo-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(3-bromo-4H-pyrimidin-2-yl)-3-(10-phenothiazinyl)-1-propanesulfonic acid IUPAC Name: 1-(3-bromo-4H-pyrimidin-2-yl)-3-phenothiazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(3-bromo-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Formula: C19H18BrN3O3S2 MolecularWeight: 480.39852

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CN=C(N1Br)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O

Isomeric SMILES

C1C=CN=C(N1Br)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O

InChI

InChI=1S/C19H18BrN3O3S2/c20-23-12-5-11-21-19(23)18(28(24,25)26)10-13-22-14-6-1-3-8-16(14)27-17-9-4-2-7-15(17)22/h1-9,11,18H,10,12-13H2,(H,24,25,26)