2-(1,3-benzothiazol-2-yl)-2-[2-(2-methoxyethylamino)pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-methoxyethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-methoxyethylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-methoxyethylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-methoxyethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-methoxyethylamino)pyrimidin-4-yl]acetonitrile Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=CC(=N1)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COCCNC1=NC=CC(=N1)C(C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H15N5OS/c1-22-9-8-19-16-18-7-6-12(21-16)11(10-17)15-20-13-4-2-3-5-14(13)23-15/h2-7,11H,8-9H2,1H3,(H,18,19,21)