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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-methoxyphenyl)ethylamino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]acetonitrile Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19N5OS/c1-28-16-8-6-15(7-9-16)10-12-24-22-25-13-11-18(27-22)17(14-23)21-26-19-4-2-3-5-20(19)29-21/h2-9,11,13,17H,10,12H2,1H3,(H,24,25,27)