5-(2-ethylphenothiazin-10-yl)-3-pyrimidin-2-yl-heptane-3-sulfonic acid

Systemtic Name: 5-(2-ethylphenothiazin-10-yl)-3-pyrimidin-2-yl-heptane-3-sulfonic acid Openeye Name: 5-(2-ethylphenothiazin-10-yl)-3-pyrimidin-2-yl-heptane-3-sulfonic acid CAS Name: 5-(2-ethyl-10-phenothiazinyl)-3-(2-pyrimidinyl)-3-heptanesulfonic acid IUPAC Name: 5-(2-ethylphenothiazin-10-yl)-3-pyrimidin-2-ylheptane-3-sulfonic acid Traditional Name: 5-(2-ethylphenothiazin-10-yl)-3-(2-pyrimidyl)heptane-3-sulfonic acid Formula: C25H29N3O3S2 MolecularWeight: 483.64606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(CC)CC(CC)(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(CC)CC(CC)(C4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C25H29N3O3S2/c1-4-18-12-13-23-21(16-18)28(20-10-7-8-11-22(20)32-23)19(5-2)17-25(6-3,33(29,30)31)24-26-14-9-15-27-24/h7-16,19H,4-6,17H2,1-3H3,(H,29,30,31)