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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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