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

Systemtic Name: 1-(4-ethylpyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(4-ethylpyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(4-ethyl-2-pyrimidinyl)-3-(10-phenothiazinyl)-1-propanesulfonic acid IUPAC Name: 1-(4-ethylpyrimidin-2-yl)-3-phenothiazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(4-ethylpyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC=C1)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O

Isomeric SMILES

CCC1=NC(=NC=C1)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O

InChI

InChI=1S/C21H21N3O3S2/c1-2-15-11-13-22-21(23-15)20(29(25,26)27)12-14-24-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)24/h3-11,13,20H,2,12,14H2,1H3,(H,25,26,27)