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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(phenethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(phenethylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(phenethylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(phenethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(phenethylamino)pyrimidin-4-yl]acetonitrile Formula: C21H17N5S MolecularWeight: 371.45818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5S/c22-14-16(20-25-18-8-4-5-9-19(18)27-20)17-11-13-24-21(26-17)23-12-10-15-6-2-1-3-7-15/h1-9,11,13,16H,10,12H2,(H,23,24,26)