2-[3-[[4-(2-azanyl-4-phenyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethanenitrile

Systemtic Name: 2-[3-[[4-(2-azanyl-4-phenyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]ethanenitrile Openeye Name: 2-[3-[[4-(2-amino-4-phenyl-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]acetonitrile CAS Name: 2-[3-[[4-(2-amino-4-phenyl-5-thiazolyl)-2-pyrimidinyl]amino]phenyl]acetonitrile IUPAC Name: 2-[3-[[4-(2-amino-4-phenyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]acetonitrile Traditional Name: 2-[3-[[4-(2-amino-4-phenyl-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]acetonitrile Formula: C21H16N6S MolecularWeight: 384.45694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC(=N2)N)C3=NC(=NC=C3)NC4=CC=CC(=C4)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC(=N2)N)C3=NC(=NC=C3)NC4=CC=CC(=C4)CC#N

InChI

InChI=1S/C21H16N6S/c22-11-9-14-5-4-8-16(13-14)25-21-24-12-10-17(26-21)19-18(27-20(23)28-19)15-6-2-1-3-7-15/h1-8,10,12-13H,9H2,(H2,23,27)(H,24,25,26)