1-(2,4-diethylphenothiazin-10-yl)-3-pyrimidin-2-yl-pentane-3-sulfonic acid

Systemtic Name: 1-(2,4-diethylphenothiazin-10-yl)-3-pyrimidin-2-yl-pentane-3-sulfonic acid Openeye Name: 1-(2,4-diethylphenothiazin-10-yl)-3-pyrimidin-2-yl-pentane-3-sulfonic acid CAS Name: 1-(2,4-diethyl-10-phenothiazinyl)-3-(2-pyrimidinyl)-3-pentanesulfonic acid IUPAC Name: 1-(2,4-diethylphenothiazin-10-yl)-3-pyrimidin-2-ylpentane-3-sulfonic acid Traditional Name: 1-(2,4-diethylphenothiazin-10-yl)-3-(2-pyrimidyl)pentane-3-sulfonic acid Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)CCC(CC)(C4=NC=CC=N4)S(=O)(=O)O)CC

Isomeric SMILES

CCC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)CCC(CC)(C4=NC=CC=N4)S(=O)(=O)O)CC

InChI

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