N-[6-[2-(3-pyridin-3-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]ethanamide

Systemtic Name: N-[6-[2-(3-pyridin-3-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]ethanamide Openeye Name: N-[6-[2-[3-(3-pyridyl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide CAS Name: N-[6-[2-[3-(3-pyridinyl)propoxy]-4-pyrimidinyl]-1,3-benzothiazol-2-yl]acetamide IUPAC Name: N-[6-[2-(3-pyridin-3-ylpropoxy)pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide Traditional Name: N-[6-[2-[3-(3-pyridyl)propoxy]pyrimidin-4-yl]-1,3-benzothiazol-2-yl]acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=NC(=NC=C3)OCCCC4=CN=CC=C4

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=NC(=NC=C3)OCCCC4=CN=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-14(27)24-21-26-18-7-6-16(12-19(18)29-21)17-8-10-23-20(25-17)28-11-3-5-15-4-2-9-22-13-15/h2,4,6-10,12-13H,3,5,11H2,1H3,(H,24,26,27)