1-(4-butylpyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid

Systemtic Name: 1-(4-butylpyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(4-butylpyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(4-butyl-2-pyrimidinyl)-3-(10-phenothiazinyl)-1-propanesulfonic acid IUPAC Name: 1-(4-butylpyrimidin-2-yl)-3-phenothiazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(4-butylpyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Formula: C23H25N3O3S2 MolecularWeight: 455.5929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NC=C1)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O

Isomeric SMILES

CCCCC1=NC(=NC=C1)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O

InChI

InChI=1S/C23H25N3O3S2/c1-2-3-8-17-13-15-24-23(25-17)22(31(27,28)29)14-16-26-18-9-4-6-11-20(18)30-21-12-7-5-10-19(21)26/h4-7,9-13,15,22H,2-3,8,14,16H2,1H3,(H,27,28,29)