3-(2,4-diethylphenothiazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid

Systemtic Name: 3-(2,4-diethylphenothiazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid Openeye Name: 3-(2,4-diethylphenothiazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid CAS Name: 3-(2,4-diethyl-10-phenothiazinyl)-1-(2-pyrimidinyl)-1-propanesulfonic acid IUPAC Name: 3-(2,4-diethylphenothiazin-10-yl)-1-pyrimidin-2-ylpropane-1-sulfonic acid Traditional Name: 3-(2,4-diethylphenothiazin-10-yl)-1-(2-pyrimidyl)propane-1-sulfonic acid Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)CCC(C4=NC=CC=N4)S(=O)(=O)O)CC

Isomeric SMILES

CCC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)CCC(C4=NC=CC=N4)S(=O)(=O)O)CC

InChI

InChI=1S/C23H25N3O3S2/c1-3-16-14-17(4-2)22-19(15-16)26(18-8-5-6-9-20(18)30-22)13-10-21(31(27,28)29)23-24-11-7-12-25-23/h5-9,11-12,14-15,21H,3-4,10,13H2,1-2H3,(H,27,28,29)