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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1H-indol-3-yl)ethylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]acetonitrile Formula: C23H18N6S MolecularWeight: 410.49422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H18N6S/c24-13-17(22-28-20-7-3-4-8-21(20)30-22)19-10-12-26-23(29-19)25-11-9-15-14-27-18-6-2-1-5-16(15)18/h1-8,10,12,14,17,27H,9,11H2,(H,25,26,29)