2-[2-azanyl-2-(2-oxidanyl-2-phenyl-ethyl)-1H-pyrimidin-6-yl]-2-(1,3-benzothiazol-2-yl)ethanenitrile

Systemtic Name: 2-[2-azanyl-2-(2-oxidanyl-2-phenyl-ethyl)-1H-pyrimidin-6-yl]-2-(1,3-benzothiazol-2-yl)ethanenitrile Openeye Name: 2-[2-amino-2-(2-hydroxy-2-phenyl-ethyl)-1H-pyrimidin-6-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile CAS Name: 2-[2-amino-2-(2-hydroxy-2-phenylethyl)-1H-pyrimidin-6-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile IUPAC Name: 2-[2-amino-2-(2-hydroxy-2-phenylethyl)-1H-pyrimidin-6-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile Traditional Name: 2-[2-amino-2-(2-hydroxy-2-phenyl-ethyl)-1H-pyrimidin-6-yl]-2-(1,3-benzothiazol-2-yl)acetonitrile Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2(NC(=CC=N2)C(C#N)C3=NC4=CC=CC=C4S3)N)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC2(NC(=CC=N2)C(C#N)C3=NC4=CC=CC=C4S3)N)O

InChI

InChI=1S/C21H19N5OS/c22-13-15(20-25-17-8-4-5-9-19(17)28-20)16-10-11-24-21(23,26-16)12-18(27)14-6-2-1-3-7-14/h1-11,15,18,26-27H,12,23H2