1-(3,6-diethyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid

Systemtic Name: 1-(3,6-diethyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Openeye Name: 1-(3,6-diethyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid CAS Name: 1-(3,6-diethyl-4H-pyrimidin-2-yl)-3-(10-phenothiazinyl)-1-propanesulfonic acid IUPAC Name: 1-(3,6-diethyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-ylpropane-1-sulfonic acid Traditional Name: 1-(3,6-diethyl-4H-pyrimidin-2-yl)-3-phenothiazin-10-yl-propane-1-sulfonic acid Formula: C23H27N3O3S2 MolecularWeight: 457.60878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CCN(C(=N1)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O)CC

Isomeric SMILES

CCC1=CCN(C(=N1)C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O)CC

InChI

InChI=1S/C23H27N3O3S2/c1-3-17-13-15-25(4-2)23(24-17)22(31(27,28)29)14-16-26-18-9-5-7-11-20(18)30-21-12-8-6-10-19(21)26/h5-13,22H,3-4,14-16H2,1-2H3,(H,27,28,29)