3-phenothiazin-10-yl-1-(3-propyl-4H-pyrimidin-2-yl)propane-1-sulfonic acid

Systemtic Name: 3-phenothiazin-10-yl-1-(3-propyl-4H-pyrimidin-2-yl)propane-1-sulfonic acid Openeye Name: 3-phenothiazin-10-yl-1-(3-propyl-4H-pyrimidin-2-yl)propane-1-sulfonic acid CAS Name: 3-(10-phenothiazinyl)-1-(3-propyl-4H-pyrimidin-2-yl)-1-propanesulfonic acid IUPAC Name: 3-phenothiazin-10-yl-1-(3-propyl-4H-pyrimidin-2-yl)propane-1-sulfonic acid Traditional Name: 3-phenothiazin-10-yl-1-(3-propyl-4H-pyrimidin-2-yl)propane-1-sulfonic acid Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC=CN=C1C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O

Isomeric SMILES

CCCN1CC=CN=C1C(CCN2C3=CC=CC=C3SC4=CC=CC=C42)S(=O)(=O)O

InChI

InChI=1S/C22H25N3O3S2/c1-2-14-24-15-7-13-23-22(24)21(30(26,27)28)12-16-25-17-8-3-5-10-19(17)29-20-11-6-4-9-18(20)25/h3-11,13,21H,2,12,14-16H2,1H3,(H,26,27,28)