3-(2-butylphenothiazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid

Systemtic Name: 3-(2-butylphenothiazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid Openeye Name: 3-(2-butylphenothiazin-10-yl)-1-pyrimidin-2-yl-propane-1-sulfonic acid CAS Name: 3-(2-butyl-10-phenothiazinyl)-1-(2-pyrimidinyl)-1-propanesulfonic acid IUPAC Name: 3-(2-butylphenothiazin-10-yl)-1-pyrimidin-2-ylpropane-1-sulfonic acid Traditional Name: 3-(2-butylphenothiazin-10-yl)-1-(2-pyrimidyl)propane-1-sulfonic acid Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCC(C4=NC=CC=N4)S(=O)(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCC(C4=NC=CC=N4)S(=O)(=O)O

InChI

InChI=1S/C23H25N3O3S2/c1-2-3-7-17-10-11-21-19(16-17)26(18-8-4-5-9-20(18)30-21)15-12-22(31(27,28)29)23-24-13-6-14-25-23/h4-6,8-11,13-14,16,22H,2-3,7,12,15H2,1H3,(H,27,28,29)