1-ethyl-3-[5-[6-(hydroxymethyl)pyridin-3-yl]-7-pyridin-3-yl-1,3-benzothiazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[5-[6-(hydroxymethyl)pyridin-3-yl]-7-pyridin-3-yl-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[5-[6-(hydroxymethyl)-3-pyridyl]-7-(3-pyridyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[5-[6-(hydroxymethyl)-3-pyridinyl]-7-(3-pyridinyl)-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[5-[6-(hydroxymethyl)pyridin-3-yl]-7-pyridin-3-yl-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[5-(6-methylol-3-pyridyl)-7-(3-pyridyl)-1,3-benzothiazol-2-yl]urea Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C3=CN=CC=C3)C4=CN=C(C=C4)CO

Isomeric SMILES

CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C3=CN=CC=C3)C4=CN=C(C=C4)CO

InChI

InChI=1S/C21H19N5O2S/c1-2-23-20(28)26-21-25-18-9-15(13-5-6-16(12-27)24-11-13)8-17(19(18)29-21)14-4-3-7-22-10-14/h3-11,27H,2,12H2,1H3,(H2,23,25,26,28)