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

Systemtic Name: 1-ethyl-3-[5-(2-methoxypyrimidin-5-yl)-7-pyridin-3-yl-1,3-benzothiazol-2-yl]urea Openeye Name: 1-ethyl-3-[5-(2-methoxypyrimidin-5-yl)-7-(3-pyridyl)-1,3-benzothiazol-2-yl]urea CAS Name: 1-ethyl-3-[5-(2-methoxy-5-pyrimidinyl)-7-(3-pyridinyl)-1,3-benzothiazol-2-yl]urea IUPAC Name: 1-ethyl-3-[5-(2-methoxypyrimidin-5-yl)-7-pyridin-3-yl-1,3-benzothiazol-2-yl]urea Traditional Name: 1-ethyl-3-[5-(2-methoxypyrimidin-5-yl)-7-(3-pyridyl)-1,3-benzothiazol-2-yl]urea Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O2S/c1-3-22-18(27)26-20-25-16-8-13(14-10-23-19(28-2)24-11-14)7-15(17(16)29-20)12-5-4-6-21-9-12/h4-11H,3H2,1-2H3,(H2,22,25,26,27)