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

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-hydroxyethylamino)pyrimidin-4-yl]ethanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-hydroxyethylamino)pyrimidin-4-yl]acetonitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-hydroxyethylamino)-4-pyrimidinyl]acetonitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-hydroxyethylamino)pyrimidin-4-yl]acetonitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-[2-(2-hydroxyethylamino)pyrimidin-4-yl]acetonitrile Formula: C15H13N5OS MolecularWeight: 311.36162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCO

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)NCCO

InChI

InChI=1S/C15H13N5OS/c16-9-10(11-5-6-17-15(20-11)18-7-8-21)14-19-12-3-1-2-4-13(12)22-14/h1-6,10,21H,7-8H2,(H,17,18,20)