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

Systemtic Name: 1-(3-methyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(3-methyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(3-methyl-4H-pyrimidin-2-yl)-3-(10-phenothiazinyl)-1-propanesulfonic acid IUPAC Name: 1-(3-methyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(3-methyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC=CN=C1C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O

Isomeric SMILES

CN1CC=CN=C1C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O

InChI

InChI=1S/C20H21N3O3S2/c1-22-13-6-12-21-20(22)19(28(24,25)26)11-14-23-15-7-2-4-9-17(15)27-18-10-5-3-8-16(18)23/h2-10,12,19H,11,13-14H2,1H3,(H,24,25,26)