2-(1,3-benzothiazol-2-yl)-2-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(2-hydroxy-2-phenyl-ethyl)amino]pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(2-hydroxy-2-phenylethyl)amino]-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(2-hydroxy-2-phenylethyl)amino]pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-[(2-hydroxy-2-phenyl-ethyl)amino]pyrimidin-4-yl]acetonitrile Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5OS/c22-12-15(20-25-17-8-4-5-9-19(17)28-20)16-10-11-23-21(26-16)24-13-18(27)14-6-2-1-3-7-14/h1-11,15,18,27H,13H2,(H,23,24,26)