4-(2,4-dimethylphenothiazin-10-yl)-2-pyrimidin-2-yl-butane-2-sulfonic acid

Systemtic Name: 4-(2,4-dimethylphenothiazin-10-yl)-2-pyrimidin-2-yl-butane-2-sulfonic acid Openeye Name: 4-(2,4-dimethylphenothiazin-10-yl)-2-pyrimidin-2-yl-butane-2-sulfonic acid CAS Name: 4-(2,4-dimethyl-10-phenothiazinyl)-2-(2-pyrimidinyl)-2-butanesulfonic acid IUPAC Name: 4-(2,4-dimethylphenothiazin-10-yl)-2-pyrimidin-2-ylbutane-2-sulfonic acid Traditional Name: 4-(2,4-dimethylphenothiazin-10-yl)-2-(2-pyrimidyl)butane-2-sulfonic acid Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)CCC(C)(C4=NC=CC=N4)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)CCC(C)(C4=NC=CC=N4)S(=O)(=O)O)C

InChI

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