2-(1,3-benzothiazol-2-yl)-2-[5-bromanyl-2-(2-dimethylaminoethylamino)pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[5-bromanyl-2-(2-dimethylaminoethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[5-bromo-2-(2-dimethylaminoethylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[5-bromo-2-(2-dimethylaminoethylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[5-bromo-2-(2-dimethylaminoethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[5-bromo-2-(2-dimethylaminoethylamino)pyrimidin-4-yl]acetonitrile Formula: C17H17BrN6S MolecularWeight: 417.32608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=NC=C(C(=N1)C(C#N)C2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

CN(C)CCNC1=NC=C(C(=N1)C(C#N)C2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C17H17BrN6S/c1-24(2)8-7-20-17-21-10-12(18)15(23-17)11(9-19)16-22-13-5-3-4-6-14(13)25-16/h3-6,10-11H,7-8H2,1-2H3,(H,20,21,23)