3-[1,3-benzoxazol-2-yl-(4,5,6-trimethylpyrimidin-2-yl)amino]propanenitrile

Systemtic Name: 3-[1,3-benzoxazol-2-yl-(4,5,6-trimethylpyrimidin-2-yl)amino]propanenitrile Openeye Name: 3-[1,3-benzoxazol-2-yl-(4,5,6-trimethylpyrimidin-2-yl)amino]propanenitrile CAS Name: 3-[1,3-benzoxazol-2-yl-(4,5,6-trimethyl-2-pyrimidinyl)amino]propanenitrile IUPAC Name: 3-[1,3-benzoxazol-2-yl-(4,5,6-trimethylpyrimidin-2-yl)amino]propanenitrile Traditional Name: 3-[1,3-benzoxazol-2-yl-(4,5,6-trimethylpyrimidin-2-yl)amino]propionitrile Formula: C17H17N5O MolecularWeight: 307.34978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)N(CCC#N)C2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=C(N=C(N=C1C)N(CCC#N)C2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C17H17N5O/c1-11-12(2)19-16(20-13(11)3)22(10-6-9-18)17-21-14-7-4-5-8-15(14)23-17/h4-5,7-8H,6,10H2,1-3H3