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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(2-phenoxyphenyl)ethylamino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(2-phenoxyphenyl)ethylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(2-phenoxyphenyl)ethylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(2-phenoxyphenyl)ethylamino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(2-phenoxyphenyl)ethylamino]pyrimidin-4-yl]acetonitrile Formula: C27H21N5OS MolecularWeight: 463.55354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2CCNC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2CCNC3=NC=CC(=N3)C(C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21N5OS/c28-18-21(26-31-23-11-5-7-13-25(23)34-26)22-15-17-30-27(32-22)29-16-14-19-8-4-6-12-24(19)33-20-9-2-1-3-10-20/h1-13,15,17,21H,14,16H2,(H,29,30,32)