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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-bromophenyl)ethylamino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-bromophenyl)ethylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-bromophenyl)ethylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-bromophenyl)ethylamino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-bromophenyl)ethylamino]pyrimidin-4-yl]acetonitrile Formula: C21H16BrN5S MolecularWeight: 450.35424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN5S/c22-15-7-5-14(6-8-15)9-11-24-21-25-12-10-17(27-21)16(13-23)20-26-18-3-1-2-4-19(18)28-20/h1-8,10,12,16H,9,11H2,(H,24,25,27)