1-(3,6-dipropyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid

Systemtic Name: 1-(3,6-dipropyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(3,6-dipropyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(3,6-dipropyl-4H-pyrimidin-2-yl)-3-(10-phenothiazinyl)-1-propanesulfonic acid IUPAC Name: 1-(3,6-dipropyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(3,6-dipropyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CCN(C(=N1)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O)CCC

Isomeric SMILES

CCCC1=CCN(C(=N1)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O)CCC

InChI

InChI=1S/C25H31N3O3S2/c1-3-9-19-14-17-27(16-4-2)25(26-19)24(33(29,30)31)15-18-28-20-10-5-7-12-22(20)32-23-13-8-6-11-21(23)28/h5-8,10-14,24H,3-4,9,15-18H2,1-2H3,(H,29,30,31)