4-(2-methylphenothiazin-10-yl)-2-pyrimidin-2-yl-pentane-2-sulfonic acid

Systemtic Name: 4-(2-methylphenothiazin-10-yl)-2-pyrimidin-2-yl-pentane-2-sulfonic acid Openeye Name: 4-(2-methylphenothiazin-10-yl)-2-pyrimidin-2-yl-pentane-2-sulfonic acid CAS Name: 4-(2-methyl-10-phenothiazinyl)-2-(2-pyrimidinyl)-2-pentanesulfonic acid IUPAC Name: 4-(2-methylphenothiazin-10-yl)-2-pyrimidin-2-ylpentane-2-sulfonic acid Traditional Name: 4-(2-methylphenothiazin-10-yl)-2-(2-pyrimidyl)pentane-2-sulfonic acid Formula: C22H23N3O3S2 MolecularWeight: 441.56632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CC(C)(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)CC(C)(C4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C22H23N3O3S2/c1-15-9-10-20-18(13-15)25(17-7-4-5-8-19(17)29-20)16(2)14-22(3,30(26,27)28)21-23-11-6-12-24-21/h4-13,16H,14H2,1-3H3,(H,26,27,28)