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

Systemtic Name: 3-phenothiazin-10-yl-1-(1,3,4-triethyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid Openeye Name: 3-phenothiazin-10-yl-1-(1,3,4-triethyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid CAS Name: 3-(10-phenothiazinyl)-1-(1,3,4-triethyl-2,4-dihydropyrimidin-2-yl)-1-propanesulfonic acid IUPAC Name: 3-phenothiazin-10-yl-1-(1,3,4-triethyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid Traditional Name: 3-phenothiazin-10-yl-1-(1,3,4-triethyl-2,4-dihydropyrimidin-2-yl)propane-1-sulfonic acid Formula: C25H33N3O3S2 MolecularWeight: 487.67782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=CN(C(N1CC)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O)CC

Isomeric SMILES

CCC1C=CN(C(N1CC)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O)CC

InChI

InChI=1S/C25H33N3O3S2/c1-4-19-15-17-26(5-2)25(27(19)6-3)24(33(29,30)31)16-18-28-20-11-7-9-13-22(20)32-23-14-10-8-12-21(23)28/h7-15,17,19,24-25H,4-6,16,18H2,1-3H3,(H,29,30,31)