1-(2,4-dipropylphenothiazin-10-yl)-3-pyrimidin-2-yl-hexane-3-sulfonic acid

Systemtic Name: 1-(2,4-dipropylphenothiazin-10-yl)-3-pyrimidin-2-yl-hexane-3-sulfonic acid Openeye Name: 1-(2,4-dipropylphenothiazin-10-yl)-3-pyrimidin-2-yl-hexane-3-sulfonic acid CAS Name: 1-(2,4-dipropyl-10-phenothiazinyl)-3-(2-pyrimidinyl)-3-hexanesulfonic acid IUPAC Name: 1-(2,4-dipropylphenothiazin-10-yl)-3-pyrimidin-2-ylhexane-3-sulfonic acid Traditional Name: 1-(2,4-dipropylphenothiazin-10-yl)-3-(2-pyrimidyl)hexane-3-sulfonic acid Formula: C28H35N3O3S2 MolecularWeight: 525.7258

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)CCC(CCC)(C4=NC=CC=N4)S(=O)(=O)O)CCC

Isomeric SMILES

CCCC1=CC(=C2C(=C1)N(C3=CC=CC=C3S2)CCC(CCC)(C4=NC=CC=N4)S(=O)(=O)O)CCC

InChI

InChI=1S/C28H35N3O3S2/c1-4-10-21-19-22(11-5-2)26-24(20-21)31(23-12-7-8-13-25(23)35-26)18-15-28(14-6-3,36(32,33)34)27-29-16-9-17-30-27/h7-9,12-13,16-17,19-20H,4-6,10-11,14-15,18H2,1-3H3,(H,32,33,34)