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

Systemtic Name: 1-(1,3-diethyl-2,4-dihydropyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(1,3-diethyl-2,4-dihydropyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(1,3-diethyl-2,4-dihydropyrimidin-2-yl)-3-(10-phenothiazinyl)-1-propanesulfonic acid IUPAC Name: 1-(1,3-diethyl-2,4-dihydropyrimidin-2-yl)-3-phenothiazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(1,3-diethyl-2,4-dihydropyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Formula: C23H29N3O3S2 MolecularWeight: 459.62466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC=CN(C1C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O)CC

Isomeric SMILES

CCN1CC=CN(C1C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O)CC

InChI

InChI=1S/C23H29N3O3S2/c1-3-24-15-9-16-25(4-2)23(24)22(31(27,28)29)14-17-26-18-10-5-7-12-20(18)30-21-13-8-6-11-19(21)26/h5-13,15,22-23H,3-4,14,16-17H2,1-2H3,(H,27,28,29)