1-(2-ethylphenothiazin-10-yl)-3-pyrimidin-2-yl-pentane-3-sulfonic acid

Systemtic Name: 1-(2-ethylphenothiazin-10-yl)-3-pyrimidin-2-yl-pentane-3-sulfonic acid Openeye Name: 1-(2-ethylphenothiazin-10-yl)-3-pyrimidin-2-yl-pentane-3-sulfonic acid CAS Name: 1-(2-ethyl-10-phenothiazinyl)-3-(2-pyrimidinyl)-3-pentanesulfonic acid IUPAC Name: 1-(2-ethylphenothiazin-10-yl)-3-pyrimidin-2-ylpentane-3-sulfonic acid Traditional Name: 1-(2-ethylphenothiazin-10-yl)-3-(2-pyrimidyl)pentane-3-sulfonic acid Formula: C23H25N3O3S2 MolecularWeight: 455.5929

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCC(CC)(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCC(CC)(C4=NC=CC=N4)S(=O)(=O)O

InChI

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