2-(1,3-benzothiazol-2-yl)-2-(2,6-dimethoxypyrimidin-4-yl)ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(2,6-dimethoxypyrimidin-4-yl)ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(2,6-dimethoxypyrimidin-4-yl)acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(2,6-dimethoxy-4-pyrimidinyl)acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(2,6-dimethoxypyrimidin-4-yl)acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(2,6-dimethoxypyrimidin-4-yl)acetonitrile Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)C(C#N)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

COC1=NC(=NC(=C1)C(C#N)C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C15H12N4O2S/c1-20-13-7-11(18-15(19-13)21-2)9(8-16)14-17-10-5-3-4-6-12(10)22-14/h3-7,9H,1-2H3