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

Systemtic Name: 3-(2,4-dipropylphenothiazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid Openeye Name: 3-(2,4-dipropylphenothiazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid CAS Name: 3-(2,4-dipropyl-10-phenothiazinyl)-1-(2-pyrimidinyl)-1-propanesulfonic acid IUPAC Name: 3-(2,4-dipropylphenothiazin-10-yl)-1-pyrimidin-2-ylpropane-1-sulfonic acid Traditional Name: 3-(2,4-dipropylphenothiazin-10-yl)-1-(2-pyrimidyl)propane-1-sulfonic acid Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)CCC(C4=NC=CC=N4)S(=O)(=O)O)CCC

Isomeric SMILES

CCCC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)CCC(C4=NC=CC=N4)S(=O)(=O)O)CCC

InChI

InChI=1S/C25H29N3O3S2/c1-3-8-18-16-19(9-4-2)24-21(17-18)28(20-10-5-6-11-22(20)32-24)15-12-23(33(29,30)31)25-26-13-7-14-27-25/h5-7,10-11,13-14,16-17,23H,3-4,8-9,12,15H2,1-2H3,(H,29,30,31)