2-(2-azanylpyrimidin-4-yl)-2-(1,3-benzothiazol-2-yl)ethanenitrile

Systemtic Name: 2-(2-azanylpyrimidin-4-yl)-2-(1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: 2-(2-aminopyrimidin-4-yl)-2-(1,3-benzothiazol-2-yl)acetonitrile CAS Name: 2-(2-amino-4-pyrimidinyl)-2-(1,3-benzothiazol-2-yl)acetonitrile IUPAC Name: 2-(2-aminopyrimidin-4-yl)-2-(1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2-(2-aminopyrimidin-4-yl)-2-(1,3-benzothiazol-2-yl)acetonitrile Formula: C13H9N5S MolecularWeight: 267.30906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)N

InChI

InChI=1S/C13H9N5S/c14-7-8(9-5-6-16-13(15)18-9)12-17-10-3-1-2-4-11(10)19-12/h1-6,8H,(H2,15,16,18)