sodium 3-phenothiazin-10-yl-1-pyrimidin-2-yl-propane-1-sulfonate

Systemtic Name: sodium 3-phenothiazin-10-yl-1-pyrimidin-2-yl-propane-1-sulfonate Openeye Name: sodium 3-phenothiazin-10-yl-1-pyrimidin-2-yl-propane-1-sulfonate CAS Name: sodium 3-(10-phenothiazinyl)-1-(2-pyrimidinyl)-1-propanesulfonate IUPAC Name: sodium 3-phenothiazin-10-yl-1-pyrimidin-2-ylpropane-1-sulfonate Traditional Name: sodium 3-phenothiazin-10-yl-1-(2-pyrimidyl)propane-1-sulfonate Formula: C19H16N3NaO3S2 MolecularWeight: 421.46841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(C4=NC=CC=N4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCC(C4=NC=CC=N4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H17N3O3S2.Na/c23-27(24,25)18(19-20-11-5-12-21-19)10-13-22-14-6-1-3-8-16(14)26-17-9-4-2-7-15(17)22;/h1-9,11-12,18H,10,13H2,(H,23,24,25);/q;+1/p-1