1-(2-propylphenothiazin-10-yl)-3-pyrimidin-2-yl-hexane-3-sulfonic acid

Systemtic Name: 1-(2-propylphenothiazin-10-yl)-3-pyrimidin-2-yl-hexane-3-sulfonic acid Openeye Name: 1-(2-propylphenothiazin-10-yl)-3-pyrimidin-2-yl-hexane-3-sulfonic acid CAS Name: 1-(2-propyl-10-phenothiazinyl)-3-(2-pyrimidinyl)-3-hexanesulfonic acid IUPAC Name: 1-(2-propylphenothiazin-10-yl)-3-pyrimidin-2-ylhexane-3-sulfonic acid Traditional Name: 1-(2-propylphenothiazin-10-yl)-3-(2-pyrimidyl)hexane-3-sulfonic acid Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCC(CCC)(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CCCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCC(CCC)(C4=NC=CC=N4)S(=O)(=O)O

InChI

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