1-(1,3-dimethyl-2,4-dihydropyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid

Systemtic Name: 1-(1,3-dimethyl-2,4-dihydropyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(1,3-dimethyl-2,4-dihydropyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(1,3-dimethyl-2,4-dihydropyrimidin-2-yl)-3-(10-phenothiazinyl)-1-propanesulfonic acid IUPAC Name: 1-(1,3-dimethyl-2,4-dihydropyrimidin-2-yl)-3-phenothiazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(1,3-dimethyl-2,4-dihydropyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S2/c1-22-13-7-14-23(2)21(22)20(29(25,26)27)12-15-24-16-8-3-5-10-18(16)28-19-11-6-4-9-17(19)24/h3-11,13,20-21H,12,14-15H2,1-2H3,(H,25,26,27)