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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(phenylmethyl)amino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(benzylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(phenylmethyl)amino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(benzylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(benzylamino)pyrimidin-4-yl]acetonitrile Formula: C20H15N5S MolecularWeight: 357.4316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=CC(=N2)C(C#N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N5S/c21-12-15(19-24-17-8-4-5-9-18(17)26-19)16-10-11-22-20(25-16)23-13-14-6-2-1-3-7-14/h1-11,15H,13H2,(H,22,23,25)