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

Systemtic Name: 1-(4-methylpyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(4-methylpyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(4-methyl-2-pyrimidinyl)-3-(10-phenothiazinyl)-1-propanesulfonic acid IUPAC Name: 1-(4-methylpyrimidin-2-yl)-3-phenothiazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(4-methylpyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O

Isomeric SMILES

CC1=NC(=NC=C1)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O

InChI

InChI=1S/C20H19N3O3S2/c1-14-10-12-21-20(22-14)19(28(24,25)26)11-13-23-15-6-2-4-8-17(15)27-18-9-5-3-7-16(18)23/h2-10,12,19H,11,13H2,1H3,(H,24,25,26)