2-[5-(1,3-benzothiazol-2-yl)-2-[(phenylmethyl)amino]pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-[5-(1,3-benzothiazol-2-yl)-2-[(phenylmethyl)amino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-[5-(1,3-benzothiazol-2-yl)-2-(benzylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-[5-(1,3-benzothiazol-2-yl)-2-[(phenylmethyl)amino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-[5-(1,3-benzothiazol-2-yl)-2-(benzylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-[5-(1,3-benzothiazol-2-yl)-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=C(C(=N2)CC#N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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